1-(2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)-6-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-(2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)-6-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-(3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl)-6-oxo-pyridine-3-carboxylic acid CAS Name: 1-(3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)-6-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-(3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl)-6-oxopyridine-3-carboxylic acid Traditional Name: 1-(3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl)-6-keto-nicotinic acid Formula: C17H16N2O7 MolecularWeight: 360.31814

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C=C(C=CC3=O)C(=O)O)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C=C(C=CC3=O)C(=O)O)O)C

InChI

InChI=1S/C17H16N2O7/c1-17(2)15(21)14(18-8-9(16(22)23)3-6-13(18)20)11-7-10(19(24)25)4-5-12(11)26-17/h3-8,14-15,21H,1-2H3,(H,22,23)