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

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 2-nitrobenzoate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [4-(2-cyanophenyl)benzyl] ester Formula: C21H14N2O4 MolecularWeight: 358.34686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2O4/c22-13-17-5-1-2-6-18(17)16-11-9-15(10-12-16)14-27-21(24)19-7-3-4-8-20(19)23(25)26/h1-12H,14H2