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

Systemtic Name: O1-ethyl O4-methyl 2-cyano-3-[(E)-N-(methoxycarbonylamino)-C-methyl-carbonimidoyl]-2-phenyl-butanedioate Openeye Name: O1-ethyl O4-methyl 2-cyano-3-[(E)-N-(methoxycarbonylamino)-C-methyl-carbonimidoyl]-2-phenyl-butanedioate CAS Name: 2-cyano-3-[(1E)-1-(methoxycarbonylhydrazinylidene)ethyl]-2-phenylbutanedioic acid O1-ethyl ester O4-methyl ester IUPAC Name: 1-O-ethyl 4-O-methyl 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 O1-ethyl ester O4-methyl ester Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6/c1-5-27-16(23)18(11-19,13-9-7-6-8-10-13)14(15(22)25-3)12(2)20-21-17(24)26-4/h6-10,14H,5H2,1-4H3,(H,21,24)/b20-12+