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

Systemtic Name: [4-(4-methylphenyl)phenyl] 3,5-dinitrobenzoate Openeye Name: [4-(p-tolyl)phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-(4-methylphenyl)phenyl] ester IUPAC Name: [4-(4-methylphenyl)phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-(p-tolyl)phenyl] ester Formula: C20H14N2O6 MolecularWeight: 378.33496

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C20H14N2O6/c1-13-2-4-14(5-3-13)15-6-8-19(9-7-15)28-20(23)16-10-17(21(24)25)12-18(11-16)22(26)27/h2-12H,1H3