[1-(2-cyano-4-nitro-phenyl)piperidin-4-yl] benzoate

Systemtic Name: [1-(2-cyano-4-nitro-phenyl)piperidin-4-yl] benzoate Openeye Name: [1-(2-cyano-4-nitro-phenyl)-4-piperidyl] benzoate CAS Name: benzoic acid [1-(2-cyano-4-nitrophenyl)-4-piperidinyl] ester IUPAC Name: [1-(2-cyano-4-nitrophenyl)piperidin-4-yl] benzoate Traditional Name: benzoic acid [1-(2-cyano-4-nitro-phenyl)-4-piperidyl] ester Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CCC1OC(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H17N3O4/c20-13-15-12-16(22(24)25)6-7-18(15)21-10-8-17(9-11-21)26-19(23)14-4-2-1-3-5-14/h1-7,12,17H,8-11H2