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

Systemtic Name: (4-bromophenyl)methyl 4-methyl-3-nitro-benzoate Openeye Name: (4-bromophenyl)methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (4-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=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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