methyl 3-cyano-2-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-4-oxidanylidene-3-phenyl-pentanoate

Systemtic Name: methyl 3-cyano-2-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-4-oxidanylidene-3-phenyl-pentanoate Openeye Name: methyl 3-cyano-2-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-4-oxo-3-phenyl-pentanoate CAS Name: 2-[(1E)-1-[[anilino(oxo)methyl]hydrazinylidene]ethyl]-3-cyano-4-oxo-3-phenylpentanoic acid methyl ester IUPAC Name: methyl 3-cyano-2-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-4-oxo-3-phenylpentanoate Traditional Name: 3-cyano-4-keto-2-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-3-phenyl-valeric acid methyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=N\NC(=O)NC1=CC=CC=C1)/C(C(=O)OC)C(C#N)(C2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C22H22N4O4/c1-15(25-26-21(29)24-18-12-8-5-9-13-18)19(20(28)30-3)22(14-23,16(2)27)17-10-6-4-7-11-17/h4-13,19H,1-3H3,(H2,24,26,29)/b25-15+