[6-(nitrooxymethyl)pyridin-2-yl]methyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: [6-(nitrooxymethyl)pyridin-2-yl]methyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [6-(nitrooxymethyl)-2-pyridyl]methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [6-(nitrooxymethyl)-2-pyridinyl]methyl ester IUPAC Name: [6-(nitrooxymethyl)pyridin-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [6-(nitrooxymethyl)-2-pyridyl]methyl ester Formula: C17H16N2O7 MolecularWeight: 360.31814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=NC(=CC=C2)CO[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=NC(=CC=C2)CO[N+](=O)[O-])O

InChI

InChI=1S/C17H16N2O7/c1-24-16-9-12(5-7-15(16)20)6-8-17(21)25-10-13-3-2-4-14(18-13)11-26-19(22)23/h2-9,20H,10-11H2,1H3/b8-6+