[2-nitro-6-(2-nitrooxypentylcarbamoyl)phenyl] propanoate

Systemtic Name: [2-nitro-6-(2-nitrooxypentylcarbamoyl)phenyl] propanoate Openeye Name: [2-nitro-6-(2-nitrooxypentylcarbamoyl)phenyl] propanoate CAS Name: propanoic acid [2-nitro-6-[(2-nitrooxypentylamino)-oxomethyl]phenyl] ester IUPAC Name: [2-nitro-6-(2-nitrooxypentylcarbamoyl)phenyl] propanoate Traditional Name: propionic acid [2-nitro-6-(2-nitrooxypentylcarbamoyl)phenyl] ester Formula: C15H19N3O8 MolecularWeight: 369.32666

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])OC(=O)CC)O[N+](=O)[O-]

Isomeric SMILES

CCCC(CNC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])OC(=O)CC)O[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O8/c1-3-6-10(26-18(23)24)9-16-15(20)11-7-5-8-12(17(21)22)14(11)25-13(19)4-2/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,16,20)