O1-ethyl O4-methyl 3-[(E)-N-(aminocarbonylamino)-C-methyl-carbonimidoyl]-2-cyano-2-phenyl-butanedioate

Systemtic Name: O1-ethyl O4-methyl 3-[(E)-N-(aminocarbonylamino)-C-methyl-carbonimidoyl]-2-cyano-2-phenyl-butanedioate Openeye Name: O1-ethyl O4-methyl 2-cyano-3-[(E)-C-methyl-N-ureido-carbonimidoyl]-2-phenyl-butanedioate CAS Name: 3-[(1E)-1-(carbamoylhydrazinylidene)ethyl]-2-cyano-2-phenylbutanedioic acid O1-ethyl ester O4-methyl ester IUPAC Name: 1-O-ethyl 4-O-methyl 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 O1-ethyl ester O4-methyl ester Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5/c1-4-26-15(23)17(10-18,12-8-6-5-7-9-12)13(14(22)25-3)11(2)20-21-16(19)24/h5-9,13H,4H2,1-3H3,(H3,19,21,24)/b20-11+