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

Systemtic Name: (3-methylphenyl)methyl 4-bromanyl-3-nitro-benzoate Openeye Name: m-tolylmethyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (3-methylbenzyl) ester Formula: C15H12BrNO4 MolecularWeight: 350.16408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrNO4/c1-10-3-2-4-11(7-10)9-21-15(18)12-5-6-13(16)14(8-12)17(19)20/h2-8H,9H2,1H3