[4-(4-cyanophenyl)phenyl] 2-nitrobenzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-nitrobenzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C20H12N2O4 MolecularWeight: 344.32028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12N2O4/c21-13-14-5-7-15(8-6-14)16-9-11-17(12-10-16)26-20(23)18-3-1-2-4-19(18)22(24)25/h1-12H