[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate CAS Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate Traditional Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3/c1-12-7-13(2)17-10-19(24-18(17)8-12)21(26)27-14(3)20(25)23-16-6-4-5-15(9-16)11-22/h4-10,14,24H,1-3H3,(H,23,25)