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

Systemtic Name: (phenylmethyl) 4-bromanyl-3-nitro-benzoate Openeye Name: benzyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid benzyl ester Formula: C14H10BrNO4 MolecularWeight: 336.1375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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