diethyl 3-[(E)-N-(aminocarbonylamino)-C-methyl-carbonimidoyl]-2-cyano-2-phenyl-butanedioate

Systemtic Name: diethyl 3-[(E)-N-(aminocarbonylamino)-C-methyl-carbonimidoyl]-2-cyano-2-phenyl-butanedioate Openeye Name: diethyl 2-cyano-3-[(E)-C-methyl-N-ureido-carbonimidoyl]-2-phenyl-butanedioate CAS Name: 3-[(1E)-1-(carbamoylhydrazinylidene)ethyl]-2-cyano-2-phenylbutanedioic acid diethyl ester IUPAC Name: diethyl 3-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]-2-cyano-2-phenylbutanedioate Traditional Name: 2-cyano-3-[(E)-C-methyl-N-ureido-carbonimidoyl]-2-phenyl-succinic acid diethyl ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5/c1-4-26-15(23)14(12(3)21-22-17(20)25)18(11-19,16(24)27-5-2)13-9-7-6-8-10-13/h6-10,14H,4-5H2,1-3H3,(H3,20,22,25)/b21-12+