[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(4-methylphenyl)ethanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(4-methylphenyl)ethanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-(p-tolyl)acetate CAS Name: 2-(4-methylphenyl)acetic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-(4-methylphenyl)acetate Traditional Name: 2-(p-tolyl)acetic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3/c1-10-3-5-12(6-4-10)7-15(19)20-9-14(18)13(8-16)11(2)17/h3-6,13,17H,7,9H2,1-2H3/t13-/m1/s1