(4-phenylmethoxyphenyl) 4-bromanyl-3-nitro-benzoate

Systemtic Name: (4-phenylmethoxyphenyl) 4-bromanyl-3-nitro-benzoate Openeye Name: (4-benzyloxyphenyl) 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (4-benzoxyphenyl) ester Formula: C20H14BrNO5 MolecularWeight: 428.23286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H14BrNO5/c21-18-11-6-15(12-19(18)22(24)25)20(23)27-17-9-7-16(8-10-17)26-13-14-4-2-1-3-5-14/h1-12H,13H2