[5-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-6-methoxy-indazol-3-yl]carbonylpyridin-2-yl]methyl dihydrogen phosphate

Systemtic Name: [5-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-6-methoxy-indazol-3-yl]carbonylpyridin-2-yl]methyl dihydrogen phosphate Openeye Name: [5-[1-(3,3-dimethyl-2-oxo-butyl)-6-methoxy-indazole-3-carbonyl]-2-pyridyl]methyl dihydrogen phosphate CAS Name: [5-[[1-(3,3-dimethyl-2-oxobutyl)-6-methoxy-3-indazolyl]-oxomethyl]-2-pyridinyl]methyl dihydrogen phosphate IUPAC Name: [5-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carbonyl]pyridin-2-yl]methyl dihydrogen phosphate Traditional Name: [5-[1-(2-keto-3,3-dimethyl-butyl)-6-methoxy-indazole-3-carbonyl]-2-pyridyl]methyl dihydrogen phosphate Formula: C21H24N3O7P MolecularWeight: 461.404921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=C(C=CC(=C2)OC)C(=N1)C(=O)C3=CN=C(C=C3)COP(=O)(O)O

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=C(C=CC(=C2)OC)C(=N1)C(=O)C3=CN=C(C=C3)COP(=O)(O)O

InChI

InChI=1S/C21H24N3O7P/c1-21(2,3)18(25)11-24-17-9-15(30-4)7-8-16(17)19(23-24)20(26)13-5-6-14(22-10-13)12-31-32(27,28)29/h5-10H,11-12H2,1-4H3,(H2,27,28,29)