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

Systemtic Name: methyl 2-[(E)-N-(aminocarbonylamino)-C-methyl-carbonimidoyl]-3-(4-nitrophenyl)-4-oxidanylidene-pentanoate Openeye Name: methyl 2-[(E)-C-methyl-N-ureido-carbonimidoyl]-3-(4-nitrophenyl)-4-oxo-pentanoate CAS Name: 2-[(1E)-1-(carbamoylhydrazinylidene)ethyl]-3-(4-nitrophenyl)-4-oxopentanoic acid methyl ester IUPAC Name: methyl 2-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]-3-(4-nitrophenyl)-4-oxopentanoate Traditional Name: 4-keto-2-[(E)-C-methyl-N-ureido-carbonimidoyl]-3-(4-nitrophenyl)valeric acid methyl ester Formula: C15H18N4O6 MolecularWeight: 350.32662

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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)N)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O6/c1-8(17-18-15(16)22)12(14(21)25-3)13(9(2)20)10-4-6-11(7-5-10)19(23)24/h4-7,12-13H,1-3H3,(H3,16,18,22)/b17-8+