[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-methoxy-4-methyl-benzoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-methoxy-4-methyl-benzoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 3-methoxy-4-methyl-benzoate CAS Name: 3-methoxy-4-methylbenzoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 3-methoxy-4-methylbenzoate Traditional Name: 3-methoxy-4-methyl-benzoic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4/c1-9-4-5-11(6-14(9)20-3)15(19)21-8-13(18)12(7-16)10(2)17/h4-6,12,17H,8H2,1-3H3/t12-/m0/s1