[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate CAS Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate Traditional Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C20H16ClN3O5 MolecularWeight: 413.81114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=C(N2)C(=O)OCC(=O)NC3=CC(=C(C=C3)C#N)Cl)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)C=C(N2)C(=O)OCC(=O)NC3=CC(=C(C=C3)C#N)Cl)OC

InChI

InChI=1S/C20H16ClN3O5/c1-27-14-5-12-6-16(24-19(12)17(8-14)28-2)20(26)29-10-18(25)23-13-4-3-11(9-22)15(21)7-13/h3-8,24H,10H2,1-2H3,(H,23,25)