(4-phenylphenyl) 4-methyl-3,5-dinitro-benzoate

Systemtic Name: (4-phenylphenyl) 4-methyl-3,5-dinitro-benzoate Openeye Name: (4-phenylphenyl) 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid (4-phenylphenyl) ester IUPAC Name: (4-phenylphenyl) 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid (4-phenylphenyl) ester Formula: C20H14N2O6 MolecularWeight: 378.33496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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