[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2,5-dimethyl-1-(o-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(2-methylphenyl)-3-pyrrolecarboxylic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(o-tolyl)pyrrole-3-carboxylic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)OC(C)C(=O)NC3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)OC(C)C(=O)NC3=CC=CC=C3C#N)C

InChI

InChI=1S/C24H23N3O3/c1-15-9-5-8-12-22(15)27-16(2)13-20(17(27)3)24(29)30-18(4)23(28)26-21-11-7-6-10-19(21)14-25/h5-13,18H,1-4H3,(H,26,28)