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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrNO4/c1-9-3-2-4-11(7-9)20-14(17)10-5-6-12(15)13(8-10)16(18)19/h2-8H,1H3