[4-(4-cyanophenyl)phenyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-methyl-3-nitro-benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C21H14N2O4 MolecularWeight: 358.34686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2O4/c1-14-2-5-18(12-20(14)23(25)26)21(24)27-19-10-8-17(9-11-19)16-6-3-15(13-22)4-7-16/h2-12H,1H3