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

Systemtic Name: diethyl 2-cyano-3-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-2-phenyl-butanedioate Openeye Name: diethyl 2-cyano-3-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-2-phenyl-butanedioate CAS Name: 3-[(1E)-1-[[anilino(oxo)methyl]hydrazinylidene]ethyl]-2-cyano-2-phenylbutanedioic acid diethyl ester IUPAC Name: diethyl 2-cyano-3-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-2-phenylbutanedioate Traditional Name: 2-cyano-3-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-2-phenyl-succinic acid diethyl ester Formula: C24H26N4O5 MolecularWeight: 450.48704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=NNC(=O)NC1=CC=CC=C1)C)C(C#N)(C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(/C(=N/NC(=O)NC1=CC=CC=C1)/C)C(C#N)(C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C24H26N4O5/c1-4-32-21(29)20(17(3)27-28-23(31)26-19-14-10-7-11-15-19)24(16-25,22(30)33-5-2)18-12-8-6-9-13-18/h6-15,20H,4-5H2,1-3H3,(H2,26,28,31)/b27-17+