(4-azanyl-1-oxidanyl-1-phosphono-butyl)phosphonic acid; 5-methyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: (4-azanyl-1-oxidanyl-1-phosphono-butyl)phosphonic acid; 5-methyl-2-phenyl-4H-pyrazol-3-one Openeye Name: (4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid; 5-methyl-2-phenyl-4H-pyrazol-3-one CAS Name: (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid; 5-methyl-2-phenyl-4H-pyrazol-3-one IUPAC Name: (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid; 5-methyl-2-phenyl-4H-pyrazol-3-one Traditional Name: (4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid; 5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C14H23N3O8P2 MolecularWeight: 423.295242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC=CC=C2.C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC=CC=C2.C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN

InChI

InChI=1S/C10H10N2O.C4H13NO7P2/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9;5-3-1-2-4(6,13(7,8)9)14(10,11)12/h2-6H,7H2,1H3;6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)