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

Systemtic Name: [4-(4-methylphenyl)phenyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [4-(p-tolyl)phenyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [4-(4-methylphenyl)phenyl] ester IUPAC Name: [4-(4-methylphenyl)phenyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [4-(p-tolyl)phenyl] ester Formula: C21H16N2O6 MolecularWeight: 392.36154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O6/c1-13-3-5-15(6-4-13)16-7-9-18(10-8-16)29-21(24)17-11-19(22(25)26)14(2)20(12-17)23(27)28/h3-12H,1-2H3