(2-bromanyl-4-methyl-phenyl) 4-methyl-3,5-dinitro-benzoate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 4-methyl-3,5-dinitro-benzoate Openeye Name: (2-bromo-4-methyl-phenyl) 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid (2-bromo-4-methyl-phenyl) ester Formula: C15H11BrN2O6 MolecularWeight: 395.16164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrN2O6/c1-8-3-4-14(11(16)5-8)24-15(19)10-6-12(17(20)21)9(2)13(7-10)18(22)23/h3-7H,1-2H3