(4-bromophenyl)methyl 3-nitrobenzoate

Systemtic Name: (4-bromophenyl)methyl 3-nitrobenzoate Openeye Name: (4-bromophenyl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-bromobenzyl) ester Formula: C14H10BrNO4 MolecularWeight: 336.1375

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)Br

InChI

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