[4-(4-cyanophenyl)phenyl] 3-nitrobenzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 3-nitrobenzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C20H12N2O4 MolecularWeight: 344.32028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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