[6-(nitrooxymethyl)pyridin-1-ium-2-yl]methyl 2-acetyloxybenzoate chloride

Systemtic Name: [6-(nitrooxymethyl)pyridin-1-ium-2-yl]methyl 2-acetyloxybenzoate chloride Openeye Name: [6-(nitrooxymethyl)pyridin-1-ium-2-yl]methyl 2-acetoxybenzoate chloride CAS Name: 2-acetyloxybenzoic acid [6-(nitrooxymethyl)-2-pyridin-1-iumyl]methyl ester chloride IUPAC Name: [6-(nitrooxymethyl)pyridin-1-ium-2-yl]methyl 2-acetyloxybenzoate chloride Traditional Name: 2-acetoxybenzoic acid [6-(nitrooxymethyl)pyridin-1-ium-2-yl]methyl ester chloride Formula: C16H15ClN2O7 MolecularWeight: 382.7525

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)OCC2=[NH+]C(=CC=C2)CO[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)OCC2=[NH+]C(=CC=C2)CO[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C16H14N2O7.ClH/c1-11(19)25-15-8-3-2-7-14(15)16(20)23-9-12-5-4-6-13(17-12)10-24-18(21)22;/h2-8H,9-10H2,1H3;1H