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

Systemtic Name: [4-(cyanomethyl)phenyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [4-(cyanomethyl)phenyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [4-(cyanomethyl)phenyl] ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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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)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4/c21-11-10-15-4-7-17(8-5-15)27-20(24)16-6-9-18(19(14-16)23(25)26)22-12-2-1-3-13-22/h4-9,14H,1-3,10,12-13H2