[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate CAS Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate Traditional Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C20H16ClN3O3 MolecularWeight: 381.81234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC2=C1)C(=O)OCC(=O)NC3=CC(=C(C=C3)C#N)Cl)C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)OCC(=O)NC3=CC(=C(C=C3)C#N)Cl)C

InChI

InChI=1S/C20H16ClN3O3/c1-11-5-12(2)15-8-18(24-17(15)6-11)20(26)27-10-19(25)23-14-4-3-13(9-22)16(21)7-14/h3-8,24H,10H2,1-2H3,(H,23,25)