[4-(2-nitrooxyethylcarbamoyl)phenyl] piperidine-4-carboxylate

Systemtic Name: [4-(2-nitrooxyethylcarbamoyl)phenyl] piperidine-4-carboxylate Openeye Name: [4-(2-nitrooxyethylcarbamoyl)phenyl] piperidine-4-carboxylate CAS Name: 4-piperidinecarboxylic acid [4-[(2-nitrooxyethylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(2-nitrooxyethylcarbamoyl)phenyl] piperidine-4-carboxylate Traditional Name: isonipecotic acid [4-(2-nitrooxyethylcarbamoyl)phenyl] ester Formula: C15H19N3O6 MolecularWeight: 337.32786

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)OC2=CC=C(C=C2)C(=O)NCCO[N+](=O)[O-]

Isomeric SMILES

C1CNCCC1C(=O)OC2=CC=C(C=C2)C(=O)NCCO[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O6/c19-14(17-9-10-23-18(21)22)11-1-3-13(4-2-11)24-15(20)12-5-7-16-8-6-12/h1-4,12,16H,5-10H2,(H,17,19)