[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(3,4-dimethylphenyl)ethanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(3,4-dimethylphenyl)ethanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-(3,4-dimethylphenyl)acetate CAS Name: 2-(3,4-dimethylphenyl)acetic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-(3,4-dimethylphenyl)acetate Traditional Name: 2-(3,4-dimethylphenyl)acetic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c1-10-4-5-13(6-11(10)2)7-16(20)21-9-15(19)14(8-17)12(3)18/h4-6,14,18H,7,9H2,1-3H3/t14-/m0/s1