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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(2-cyanoethanoylamino)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O4/c1-10(19)13(8-18)14(21)9-24-16(23)11-2-4-12(5-3-11)20-15(22)6-7-17/h2-5,13,19H,6,9H2,1H3,(H,20,22)