4-[[(3S,4R)-2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]oxy]-1H-pyridin-2-one

Systemtic Name: 4-[[(3S,4R)-2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]oxy]-1H-pyridin-2-one Openeye Name: 4-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl]oxy-1H-pyridin-2-one CAS Name: 4-[[(3S,4R)-3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-1H-pyridin-2-one IUPAC Name: 4-[[(3S,4R)-3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl]oxy]-1H-pyridin-2-one Traditional Name: 4-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl]oxy-2-pyridone Formula: C16H16N2O6 MolecularWeight: 332.30804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])OC3=CC(=O)NC=C3)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])OC3=CC(=O)NC=C3)O)C

InChI

InChI=1S/C16H16N2O6/c1-16(2)15(20)14(23-10-5-6-17-13(19)8-10)11-7-9(18(21)22)3-4-12(11)24-16/h3-8,14-15,20H,1-2H3,(H,17,19)/t14-,15+/m1/s1