(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) benzoate CAS Name: benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) benzoate Traditional Name: benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H12N2O3/c1-9(15)11(7-14)12(16)8-18-13(17)10-5-3-2-4-6-10/h2-6,11,15H,8H2,1H3