3-ethoxy-7-[3-(hydroxymethyl)-4-oxidanylidene-pyridin-1-yl]-6-nitro-quinoxaline-2-carboxylic acid

Systemtic Name: 3-ethoxy-7-[3-(hydroxymethyl)-4-oxidanylidene-pyridin-1-yl]-6-nitro-quinoxaline-2-carboxylic acid Openeye Name: 3-ethoxy-7-[3-(hydroxymethyl)-4-oxo-1-pyridyl]-6-nitro-quinoxaline-2-carboxylic acid CAS Name: 3-ethoxy-7-[3-(hydroxymethyl)-4-oxo-1-pyridinyl]-6-nitro-2-quinoxalinecarboxylic acid IUPAC Name: 3-ethoxy-7-[3-(hydroxymethyl)-4-oxopyridin-1-yl]-6-nitroquinoxaline-2-carboxylic acid Traditional Name: 3-ethoxy-7-(4-keto-3-methylol-1-pyridyl)-6-nitro-quinoxaline-2-carboxylic acid Formula: C17H14N4O7 MolecularWeight: 386.31566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=CC(=C(C=C2N=C1C(=O)O)N3C=CC(=O)C(=C3)CO)[N+](=O)[O-]

Isomeric SMILES

CCOC1=NC2=CC(=C(C=C2N=C1C(=O)O)N3C=CC(=O)C(=C3)CO)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O7/c1-2-28-16-15(17(24)25)18-10-5-12(13(21(26)27)6-11(10)19-16)20-4-3-14(23)9(7-20)8-22/h3-7,22H,2,8H2,1H3,(H,24,25)