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

Systemtic Name: [4-(4-cyanophenyl)phenyl] 3,5-dinitrobenzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C20H11N3O6 MolecularWeight: 389.31784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H11N3O6/c21-12-13-1-3-14(4-2-13)15-5-7-19(8-6-15)29-20(24)16-9-17(22(25)26)11-18(10-16)23(27)28/h1-11H