[3-(nitrooxymethyl)pyridin-2-yl]methyl 2-oxidanylbenzoate

Systemtic Name: [3-(nitrooxymethyl)pyridin-2-yl]methyl 2-oxidanylbenzoate Openeye Name: [3-(nitrooxymethyl)-2-pyridyl]methyl 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic acid [3-(nitrooxymethyl)-2-pyridinyl]methyl ester IUPAC Name: [3-(nitrooxymethyl)pyridin-2-yl]methyl 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid [3-(nitrooxymethyl)-2-pyridyl]methyl ester Formula: C14H12N2O6 MolecularWeight: 304.25488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=C(C=CC=N2)CO[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=C(C=CC=N2)CO[N+](=O)[O-])O

InChI

InChI=1S/C14H12N2O6/c17-13-6-2-1-5-11(13)14(18)21-9-12-10(4-3-7-15-12)8-22-16(19)20/h1-7,17H,8-9H2