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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2Br)[N+](=O)[O-]

InChI

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