methyl 2-[(E)-N-(aminocarbonylamino)-C-methyl-carbonimidoyl]-3-cyano-4-oxidanylidene-3-phenyl-pentanoate

Systemtic Name: methyl 2-[(E)-N-(aminocarbonylamino)-C-methyl-carbonimidoyl]-3-cyano-4-oxidanylidene-3-phenyl-pentanoate Openeye Name: methyl 3-cyano-2-[(E)-C-methyl-N-ureido-carbonimidoyl]-4-oxo-3-phenyl-pentanoate CAS Name: 2-[(1E)-1-(carbamoylhydrazinylidene)ethyl]-3-cyano-4-oxo-3-phenylpentanoic acid methyl ester IUPAC Name: methyl 2-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]-3-cyano-4-oxo-3-phenylpentanoate Traditional Name: 3-cyano-4-keto-2-[(E)-C-methyl-N-ureido-carbonimidoyl]-3-phenyl-valeric acid methyl ester Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)N)C(C(=O)OC)C(C#N)(C1=CC=CC=C1)C(=O)C

Isomeric SMILES

C/C(=N\NC(=O)N)/C(C(=O)OC)C(C#N)(C1=CC=CC=C1)C(=O)C

InChI

InChI=1S/C16H18N4O4/c1-10(19-20-15(18)23)13(14(22)24-3)16(9-17,11(2)21)12-7-5-4-6-8-12/h4-8,13H,1-3H3,(H3,18,20,23)/b19-10+