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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C15H17N3O4/c1-7-13(10(4)19)9(3)18-14(7)15(21)22-6-12(20)11(5-16)8(2)17/h11,17-18H,6H2,1-4H3/t11-/m1/s1