[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2,4,6-trimethylbenzoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2,4,6-trimethylbenzoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic 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=CC(=C(C(=C1)C)C(=O)OCC(=O)C(C#N)C(=N)C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c1-9-5-10(2)15(11(3)6-9)16(20)21-8-14(19)13(7-17)12(4)18/h5-6,13,18H,8H2,1-4H3/t13-/m0/s1