2-[4-methyl-5-nitro-6,7-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-5-nitro-6,7-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoic acid Openeye Name: 2-(6,7-dihydroxy-4-methyl-5-nitro-2-oxo-chromen-3-yl)acetic acid CAS Name: 2-(6,7-dihydroxy-4-methyl-5-nitro-2-oxo-1-benzopyran-3-yl)acetic acid IUPAC Name: 2-(6,7-dihydroxy-4-methyl-5-nitro-2-oxochromen-3-yl)acetic acid Traditional Name: 2-(6,7-dihydroxy-2-keto-4-methyl-5-nitro-chromen-3-yl)acetic acid Formula: C12H9NO8 MolecularWeight: 295.20176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C(=C12)[N+](=O)[O-])O)O)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C(=C12)[N+](=O)[O-])O)O)CC(=O)O

InChI

InChI=1S/C12H9NO8/c1-4-5(2-8(15)16)12(18)21-7-3-6(14)11(17)10(9(4)7)13(19)20/h3,14,17H,2H2,1H3,(H,15,16)