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

Systemtic Name: methyl 2-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-3-(4-nitrophenyl)-4-oxidanylidene-pentanoate Openeye Name: methyl 2-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-3-(4-nitrophenyl)-4-oxo-pentanoate CAS Name: 2-[(1E)-1-[[anilino(oxo)methyl]hydrazinylidene]ethyl]-3-(4-nitrophenyl)-4-oxopentanoic acid methyl ester IUPAC Name: methyl 2-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-3-(4-nitrophenyl)-4-oxopentanoate Traditional Name: 4-keto-2-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-3-(4-nitrophenyl)valeric acid methyl ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])C(C(=NNC(=O)NC2=CC=CC=C2)C)C(=O)OC

Isomeric SMILES

CC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])C(/C(=N/NC(=O)NC2=CC=CC=C2)/C)C(=O)OC

InChI

InChI=1S/C21H22N4O6/c1-13(23-24-21(28)22-16-7-5-4-6-8-16)18(20(27)31-3)19(14(2)26)15-9-11-17(12-10-15)25(29)30/h4-12,18-19H,1-3H3,(H2,22,24,28)/b23-13+