(4-bromophenyl)methyl 3-methyl-2-nitro-benzoate

Systemtic Name: (4-bromophenyl)methyl 3-methyl-2-nitro-benzoate Openeye Name: (4-bromophenyl)methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (4-bromobenzyl) ester Formula: C15H12BrNO4 MolecularWeight: 350.16408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)Br

InChI

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