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

Systemtic Name: ethyl 2-[(E)-N-(aminocarbonylamino)-C-methyl-carbonimidoyl]-3-cyano-4-oxidanylidene-3-phenyl-pentanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C(/C(=N/NC(=O)N)/C)C(C#N)(C1=CC=CC=C1)C(=O)C

InChI

InChI=1S/C17H20N4O4/c1-4-25-15(23)14(11(2)20-21-16(19)24)17(10-18,12(3)22)13-8-6-5-7-9-13/h5-9,14H,4H2,1-3H3,(H3,19,21,24)/b20-11+