[6-aminocarbonyl-2-nitro-3-(2-nitrooxypropyl)phenyl] piperidine-2-carboxylate

Systemtic Name: [6-aminocarbonyl-2-nitro-3-(2-nitrooxypropyl)phenyl] piperidine-2-carboxylate Openeye Name: [6-carbamoyl-2-nitro-3-(2-nitrooxypropyl)phenyl] piperidine-2-carboxylate CAS Name: 2-piperidinecarboxylic acid [6-carbamoyl-2-nitro-3-(2-nitrooxypropyl)phenyl] ester IUPAC Name: [6-carbamoyl-2-nitro-3-(2-nitrooxypropyl)phenyl] piperidine-2-carboxylate Traditional Name: pipecolinic acid [6-carbamoyl-2-nitro-3-(2-nitrooxypropyl)phenyl] ester Formula: C16H20N4O8 MolecularWeight: 396.352

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C(=C(C=C1)C(=O)N)OC(=O)C2CCCCN2)[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CC(CC1=C(C(=C(C=C1)C(=O)N)OC(=O)C2CCCCN2)[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O8/c1-9(28-20(25)26)8-10-5-6-11(15(17)21)14(13(10)19(23)24)27-16(22)12-4-2-3-7-18-12/h5-6,9,12,18H,2-4,7-8H2,1H3,(H2,17,21)