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

Systemtic Name: diethyl 2-cyano-3-[(E)-N-(methoxycarbonylamino)-C-methyl-carbonimidoyl]-2-phenyl-butanedioate Openeye Name: diethyl 2-cyano-3-[(E)-N-(methoxycarbonylamino)-C-methyl-carbonimidoyl]-2-phenyl-butanedioate CAS Name: 2-cyano-3-[(1E)-1-(methoxycarbonylhydrazinylidene)ethyl]-2-phenylbutanedioic acid diethyl ester IUPAC Name: diethyl 2-cyano-3-[(E)-N-(methoxycarbonylamino)-C-methylcarbonimidoyl]-2-phenylbutanedioate Traditional Name: 3-[(E)-N-(carbomethoxyamino)-C-methyl-carbonimidoyl]-2-cyano-2-phenyl-succinic acid diethyl ester Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6/c1-5-27-16(23)15(13(3)21-22-18(25)26-4)19(12-20,17(24)28-6-2)14-10-8-7-9-11-14/h7-11,15H,5-6H2,1-4H3,(H,22,25)/b21-13+