(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(4-methylphenyl)carbonylbenzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)C(C#N)C(=N)C

InChI

InChI=1S/C21H18N2O4/c1-13-7-9-15(10-8-13)20(25)16-5-3-4-6-17(16)21(26)27-12-19(24)18(11-22)14(2)23/h3-10,18,23H,12H2,1-2H3