[3-bromanyl-4-(4-methyl-3-nitro-phenyl)carbonyloxy-phenyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [3-bromanyl-4-(4-methyl-3-nitro-phenyl)carbonyloxy-phenyl] 4-methyl-3-nitro-benzoate Openeye Name: [3-bromo-4-(4-methyl-3-nitro-benzoyl)oxy-phenyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [3-bromo-4-[(4-methyl-3-nitrophenyl)-oxomethoxy]phenyl] ester IUPAC Name: [3-bromo-4-(4-methyl-3-nitrobenzoyl)oxyphenyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [3-bromo-4-(4-methyl-3-nitro-benzoyl)oxy-phenyl] ester Formula: C22H15BrN2O8 MolecularWeight: 515.2671

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC(=C(C=C2)OC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC(=C(C=C2)OC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C22H15BrN2O8/c1-12-3-5-14(9-18(12)24(28)29)21(26)32-16-7-8-20(17(23)11-16)33-22(27)15-6-4-13(2)19(10-15)25(30)31/h3-11H,1-2H3