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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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