[6-[4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)phenoxy]-1-nitrooxy-hexan-2-yl] nitrate

Systemtic Name: [6-[4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)phenoxy]-1-nitrooxy-hexan-2-yl] nitrate Openeye Name: [6-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenoxy]-2-nitrooxy-hexyl] nitrate CAS Name: nitric acid [6-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenoxy]-1-nitrooxyhexan-2-yl] ester IUPAC Name: [6-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenoxy]-1-nitrooxyhexan-2-yl] nitrate Traditional Name: nitric acid [6-[4-(5-keto-3-methyl-2-pyrazolin-1-yl)phenoxy]-2-nitrooxy-hexyl] ester Formula: C16H20N4O8 MolecularWeight: 396.352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC=C(C=C2)OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC=C(C=C2)OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

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