[4-(4-cyanophenyl)phenyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C26H23N3O4/c1-18-12-14-28(15-13-18)24-11-8-22(16-25(24)29(31)32)26(30)33-23-9-6-21(7-10-23)20-4-2-19(17-27)3-5-20/h2-11,16,18H,12-15H2,1H3