[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-3-(2-methylphenyl)prop-2-enoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-3-(2-methylphenyl)prop-2-enoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (E)-3-(o-tolyl)prop-2-enoate CAS Name: (E)-3-(2-methylphenyl)-2-propenoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (E)-3-(2-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(o-tolyl)acrylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3/c1-11-5-3-4-6-13(11)7-8-16(20)21-10-15(19)14(9-17)12(2)18/h3-8,14,18H,10H2,1-2H3/b8-7+,18-12?/t14-/m0/s1