[4-(4-methylphenyl)phenyl] 2,4-dinitrobenzoate

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

Isomeric SMILES

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

InChI

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