(3-bromophenyl) 3-methyl-4-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC(=CC=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC(=CC=C2)Br)[N+](=O)[O-]

InChI

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