[4-[(E)-[2-(2-bromanyl-4-nitro-phenoxy)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-nitrobenzoate

Systemtic Name: [4-[(E)-[2-(2-bromanyl-4-nitro-phenoxy)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-nitrobenzoate Openeye Name: [4-[(E)-[[2-(2-bromo-4-nitro-phenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(E)-[[2-(2-bromo-4-nitrophenoxy)-1-oxoethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[[2-(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(E)-[[2-(2-bromo-4-nitro-phenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C23H17BrN4O9 MolecularWeight: 573.30648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H17BrN4O9/c1-35-21-10-14(2-8-20(21)37-23(30)15-3-5-16(6-4-15)27(31)32)12-25-26-22(29)13-36-19-9-7-17(28(33)34)11-18(19)24/h2-12H,13H2,1H3,(H,26,29)/b25-12+