2-((3-(1,3-benzodioxol-5-yl)-2-methylpropylidene)amino)benzoic acid methyl ester (Q27272371)

Methyl 2-{(E)-[3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino}benzoate (English)

14 October 2016

chemical formula

C₁₉H₁₉NO₄

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(CC1=CC=C2C(=C1)OCO2)C=NC3=CC=CC=C3C(=O)OC

1 reference

2-((3-(1,3-benzodioxol-5-yl)-2-methylpropylidene)amino)benzoic acid methyl ester (English)

14 October 2016

isomeric SMILES

CC(CC1=CC=C2C(=C1)OCO2)/C=N/C3=CC=CC=C3C(=O)OC

1 reference

2-((3-(1,3-benzodioxol-5-yl)-2-methylpropylidene)amino)benzoic acid methyl ester (English)

InChI=1S/C19H19NO4/c1-13(9-14-7-8-17-18(10-14)24-12-23-17)11-20-16-6-4-3-5-15(16)19(21)22-2/h3-8,10-11,13H,9,12H2,1-2H3/b20-11+

14 October 2016

Identifiers

InChI

1 reference

2-((3-(1,3-benzodioxol-5-yl)-2-methylpropylidene)amino)benzoic acid methyl ester (English)

FMKWHJXRMHLTPO-RGVLZGJSSA-N

14 October 2016

InChIKey

1 reference

2-((3-(1,3-benzodioxol-5-yl)-2-methylpropylidene)amino)benzoic acid methyl ester (English)

14 October 2016

1 reference

2-((3-(1,3-benzodioxol-5-yl)-2-methylpropylidene)amino)benzoic acid methyl ester (English)

14 October 2016

1 reference

ECHA Substance Infocard database

Methyl 2-{(E)-[3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino}benzoate (English)

14 October 2016

1 reference

ECHA Substance Infocard ID

100.105.413

27 December 2018

ECHA Substance Infocard ID

Benzoic acid, 2-[[3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-,methyl ester (E/Z) (English)

quotation

CAS no.: 111753-60-7 (English)

100.105.413

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.105.413

27 December 2018

Benzoic acid, 2-[[3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-,methyl ester (E/Z) (English)

quotation

CAS no.: 111753-60-7 (English)

2 references