[2-methyl-4-(4-methylphenyl)phenyl] 3,5-dinitrobenzoate

Systemtic Name: [2-methyl-4-(4-methylphenyl)phenyl] 3,5-dinitrobenzoate Openeye Name: [2-methyl-4-(p-tolyl)phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-methyl-4-(4-methylphenyl)phenyl] ester IUPAC Name: [2-methyl-4-(4-methylphenyl)phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-methyl-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(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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