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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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