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

Systemtic Name: O1-ethyl O4-methyl 2-cyano-3-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-2-phenyl-butanedioate Openeye Name: O1-ethyl O4-methyl 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 O1-ethyl ester O4-methyl ester IUPAC Name: 1-O-ethyl 4-O-methyl 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 O1-ethyl ester O4-methyl ester Formula: C23H24N4O5 MolecularWeight: 436.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)(C1=CC=CC=C1)C(C(=NNC(=O)NC2=CC=CC=C2)C)C(=O)OC

Isomeric SMILES

CCOC(=O)C(C#N)(C1=CC=CC=C1)C(/C(=N/NC(=O)NC2=CC=CC=C2)/C)C(=O)OC

InChI

InChI=1S/C23H24N4O5/c1-4-32-21(29)23(15-24,17-11-7-5-8-12-17)19(20(28)31-3)16(2)26-27-22(30)25-18-13-9-6-10-14-18/h5-14,19H,4H2,1-3H3,(H2,25,27,30)/b26-16+