[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 6-methanoyl-2,3-dimethoxy-benzoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 6-methanoyl-2,3-dimethoxy-benzoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 6-formyl-2,3-dimethoxy-benzoate CAS Name: 6-formyl-2,3-dimethoxybenzoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 6-formyl-2,3-dimethoxybenzoate Traditional Name: 6-formyl-2,3-dimethoxy-benzoic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=O)C(=O)OCC(=O)NC2=CC=C(C=C2)C#N)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C=O)C(=O)OCC(=O)NC2=CC=C(C=C2)C#N)OC

InChI

InChI=1S/C19H16N2O6/c1-25-15-8-5-13(10-22)17(18(15)26-2)19(24)27-11-16(23)21-14-6-3-12(9-20)4-7-14/h3-8,10H,11H2,1-2H3,(H,21,23)