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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H14BrNO4/c21-18-11-8-16(13-19(18)22(24)25)20(23)26-17-9-6-15(7-10-17)12-14-4-2-1-3-5-14/h1-11,13H,12H2