[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OCC(=O)C(C#N)C(=N)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OCC(=O)[C@H](C#N)C(=N)C)C

InChI

InChI=1S/C20H21N3O3/c1-12-5-7-16(8-6-12)23-13(2)9-17(15(23)4)20(25)26-11-19(24)18(10-21)14(3)22/h5-9,18,22H,11H2,1-4H3/t18-/m1/s1