[2-[1-methyl-4-(2-methylpropyl)pyrazol-3-yl]furan-3-yl]phosphonic acid

Systemtic Name: [2-[1-methyl-4-(2-methylpropyl)pyrazol-3-yl]furan-3-yl]phosphonic acid Openeye Name: [2-(4-isobutyl-1-methyl-pyrazol-3-yl)-3-furyl]phosphonic acid CAS Name: [2-[1-methyl-4-(2-methylpropyl)-3-pyrazolyl]-3-furanyl]phosphonic acid IUPAC Name: [2-[1-methyl-4-(2-methylpropyl)pyrazol-3-yl]furan-3-yl]phosphonic acid Traditional Name: [2-(4-isobutyl-1-methyl-pyrazol-3-yl)-3-furyl]phosphonic acid Formula: C12H17N2O4P MolecularWeight: 284.248141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CN(N=C1C2=C(C=CO2)P(=O)(O)O)C

Isomeric SMILES

CC(C)CC1=CN(N=C1C2=C(C=CO2)P(=O)(O)O)C

InChI

InChI=1S/C12H17N2O4P/c1-8(2)6-9-7-14(3)13-11(9)12-10(4-5-18-12)19(15,16)17/h4-5,7-8H,6H2,1-3H3,(H2,15,16,17)