[3-(nitrooxymethyl)pyridin-2-yl]methyl 2-(2-oxidanylidenepropyl)benzoate hydrochloride

Systemtic Name: [3-(nitrooxymethyl)pyridin-2-yl]methyl 2-(2-oxidanylidenepropyl)benzoate hydrochloride Openeye Name: [3-(nitrooxymethyl)-2-pyridyl]methyl 2-acetonylbenzoate hydrochloride CAS Name: 2-(2-oxopropyl)benzoic acid [3-(nitrooxymethyl)-2-pyridinyl]methyl ester hydrochloride IUPAC Name: [3-(nitrooxymethyl)pyridin-2-yl]methyl 2-(2-oxopropyl)benzoate hydrochloride Traditional Name: 2-acetonylbenzoic acid [3-(nitrooxymethyl)-2-pyridyl]methyl ester hydrochloride Formula: C17H17ClN2O6 MolecularWeight: 380.77968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC=CC=C1C(=O)OCC2=C(C=CC=N2)CO[N+](=O)[O-].Cl

Isomeric SMILES

CC(=O)CC1=CC=CC=C1C(=O)OCC2=C(C=CC=N2)CO[N+](=O)[O-].Cl

InChI

InChI=1S/C17H16N2O6.ClH/c1-12(20)9-13-5-2-3-7-15(13)17(21)24-11-16-14(6-4-8-18-16)10-25-19(22)23;/h2-8H,9-11H2,1H3;1H