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

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 6-methanoyl-2,3-dimethoxy-benzoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 6-formyl-2,3-dimethoxy-benzoate CAS Name: 6-formyl-2,3-dimethoxybenzoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 6-formyl-2,3-dimethoxybenzoate Traditional Name: 6-formyl-2,3-dimethoxy-benzoic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C19H15ClN2O6 MolecularWeight: 402.7852

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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)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN2O6/c1-26-15-6-4-12(9-23)17(18(15)27-2)19(25)28-10-16(24)22-13-5-3-11(8-21)14(20)7-13/h3-7,9H,10H2,1-2H3,(H,22,24)