(3-bromophenyl)methyl 4-methyl-3,5-dinitro-benzoate

Systemtic Name: (3-bromophenyl)methyl 4-methyl-3,5-dinitro-benzoate Openeye Name: (3-bromophenyl)methyl 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid (3-bromobenzyl) ester Formula: C15H11BrN2O6 MolecularWeight: 395.16164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrN2O6/c1-9-13(17(20)21)6-11(7-14(9)18(22)23)15(19)24-8-10-3-2-4-12(16)5-10/h2-7H,8H2,1H3