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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C=CC=C(C3=O)C(=O)O)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C=CC=C(C3=O)C(=O)O)O)C

InChI

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