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

Systemtic Name: [4-(4-cyanophenyl)phenyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(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

C1CCN(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/C25H21N3O4/c26-17-18-4-6-19(7-5-18)20-8-11-22(12-9-20)32-25(29)21-10-13-23(24(16-21)28(30)31)27-14-2-1-3-15-27/h4-13,16H,1-3,14-15H2