[4-(bromomethyl)-2-nitro-phenyl] benzoate

Systemtic Name: [4-(bromomethyl)-2-nitro-phenyl] benzoate Openeye Name: [4-(bromomethyl)-2-nitro-phenyl] benzoate CAS Name: benzoic acid [4-(bromomethyl)-2-nitrophenyl] ester IUPAC Name: [4-(bromomethyl)-2-nitrophenyl] benzoate Traditional Name: benzoic acid [4-(bromomethyl)-2-nitro-phenyl] ester Formula: C14H10BrNO4 MolecularWeight: 336.1375

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)CBr)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)CBr)[N+](=O)[O-]

InChI

InChI=1S/C14H10BrNO4/c15-9-10-6-7-13(12(8-10)16(18)19)20-14(17)11-4-2-1-3-5-11/h1-8H,9H2