[2-[(E)-N-[[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethanoyl]amino]-C-methyl-carbonimidoyl]phenyl] 4-nitrobenzoate

Systemtic Name: [2-[(E)-N-[[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethanoyl]amino]-C-methyl-carbonimidoyl]phenyl] 4-nitrobenzoate Openeye Name: [2-[(E)-N-[[2-(4-bromo-2-fluoro-anilino)-2-oxo-acetyl]amino]-C-methyl-carbonimidoyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(1E)-1-[[2-(4-bromo-2-fluoroanilino)-1,2-dioxoethyl]hydrazinylidene]ethyl]phenyl] ester IUPAC Name: [2-[(E)-N-[[2-(4-bromo-2-fluoroanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[(E)-N-[[2-(4-bromo-2-fluoro-anilino)-2-keto-acetyl]amino]-C-methyl-carbonimidoyl]phenyl] ester Formula: C23H16BrFN4O6 MolecularWeight: 543.298743

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C(=O)NC1=C(C=C(C=C1)Br)F)C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)C(=O)NC1=C(C=C(C=C1)Br)F)/C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H16BrFN4O6/c1-13(27-28-22(31)21(30)26-19-11-8-15(24)12-18(19)25)17-4-2-3-5-20(17)35-23(32)14-6-9-16(10-7-14)29(33)34/h2-12H,1H3,(H,26,30)(H,28,31)/b27-13+