[3-(4-dimethylaminophenyl)carbonyl-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid

Systemtic Name: [3-(4-dimethylaminophenyl)carbonyl-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid Openeye Name: [3-[4-(dimethylamino)benzoyl]-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid CAS Name: [3-[(4-dimethylaminophenyl)-oxomethyl]-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid IUPAC Name: [3-[4-(dimethylamino)benzoyl]-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid Traditional Name: [5-[4-(dimethylamino)benzoyl]-3-phosphono-2-pyrazolin-3-yl]phosphonic acid Formula: C12H17N3O7P2 MolecularWeight: 377.226802

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)C2=NNC(C2)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)C2=NNC(C2)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H17N3O7P2/c1-15(2)9-5-3-8(4-6-9)11(16)10-7-12(14-13-10,23(17,18)19)24(20,21)22/h3-6,14H,7H2,1-2H3,(H2,17,18,19)(H2,20,21,22)