[4-(4-methylphenyl)phenyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [4-(4-methylphenyl)phenyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [4-(p-tolyl)phenyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [4-(4-methylphenyl)phenyl] ester IUPAC Name: [4-(4-methylphenyl)phenyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [4-(p-tolyl)phenyl] ester Formula: C20H14BrNO4 MolecularWeight: 412.23346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrNO4/c1-13-2-4-14(5-3-13)15-6-9-17(10-7-15)26-20(23)16-8-11-18(21)19(12-16)22(24)25/h2-12H,1H3