(4-phenylphenyl)methyl 4-bromanyl-3-nitro-benzoate

Systemtic Name: (4-phenylphenyl)methyl 4-bromanyl-3-nitro-benzoate Openeye Name: (4-phenylphenyl)methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (4-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (4-phenylbenzyl) ester Formula: C20H14BrNO4 MolecularWeight: 412.23346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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