(2-bromanyl-4-phenyl-phenyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (2-bromanyl-4-phenyl-phenyl) 3-methyl-4-nitro-benzoate Openeye Name: (2-bromo-4-phenyl-phenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (2-bromo-4-phenylphenyl) ester IUPAC Name: (2-bromo-4-phenylphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2-bromo-4-phenyl-phenyl) ester Formula: C20H14BrNO4 MolecularWeight: 412.23346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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