[2-methyl-4-(phenylcarbonyl)phenyl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [2-methyl-4-(phenylcarbonyl)phenyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: (4-benzoyl-2-methyl-phenyl) 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid (4-benzoyl-2-methylphenyl) ester IUPAC Name: (4-benzoyl-2-methylphenyl) 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid (4-benzoyl-2-methyl-phenyl) ester Formula: C22H16N2O7 MolecularWeight: 420.37164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)OC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)OC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O7/c1-13-10-16(21(25)15-6-4-3-5-7-15)8-9-20(13)31-22(26)17-11-18(23(27)28)14(2)19(12-17)24(29)30/h3-12H,1-2H3