methyl 4-[[4-(2-cyanophenyl)phenyl]methoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[[4-(2-cyanophenyl)phenyl]methoxy]-3-nitro-benzoate Openeye Name: methyl 4-[[4-(2-cyanophenyl)phenyl]methoxy]-3-nitro-benzoate CAS Name: 4-[[4-(2-cyanophenyl)phenyl]methoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-cyanophenyl)phenyl]methoxy]-3-nitrobenzoate Traditional Name: 4-[4-(2-cyanophenyl)benzyl]oxy-3-nitro-benzoic acid methyl ester Formula: C22H16N2O5 MolecularWeight: 388.37284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O5/c1-28-22(25)17-10-11-21(20(12-17)24(26)27)29-14-15-6-8-16(9-7-15)19-5-3-2-4-18(19)13-23/h2-12H,14H2,1H3