4-(4-azanyl-2,3-dimethyl-5-oxidanylidene-pyrazol-1-yl)-N-[2,3-bis(oxidanyl)propyl]benzamide

Systemtic Name: 4-(4-azanyl-2,3-dimethyl-5-oxidanylidene-pyrazol-1-yl)-N-[2,3-bis(oxidanyl)propyl]benzamide Openeye Name: 4-(4-amino-2,3-dimethyl-5-oxo-pyrazol-1-yl)-N-(2,3-dihydroxypropyl)benzamide CAS Name: 4-(4-amino-2,3-dimethyl-5-oxo-1-pyrazolyl)-N-(2,3-dihydroxypropyl)benzamide IUPAC Name: 4-(4-amino-2,3-dimethyl-5-oxopyrazol-1-yl)-N-(2,3-dihydroxypropyl)benzamide Traditional Name: 4-(4-amino-5-keto-2,3-dimethyl-3-pyrazolin-1-yl)-N-glyceryl-benzamide Formula: C15H20N4O4 MolecularWeight: 320.3437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)C(=O)NCC(CO)O)N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)C(=O)NCC(CO)O)N

InChI

InChI=1S/C15H20N4O4/c1-9-13(16)15(23)19(18(9)2)11-5-3-10(4-6-11)14(22)17-7-12(21)8-20/h3-6,12,20-21H,7-8,16H2,1-2H3,(H,17,22)