(3,4-dimethylphenyl) 4-bromanyl-3-nitro-benzoate

Systemtic Name: (3,4-dimethylphenyl) 4-bromanyl-3-nitro-benzoate Openeye Name: (3,4-dimethylphenyl) 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (3,4-dimethylphenyl) ester Formula: C15H12BrNO4 MolecularWeight: 350.16408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrNO4/c1-9-3-5-12(7-10(9)2)21-15(18)11-4-6-13(16)14(8-11)17(19)20/h3-8H,1-2H3