3,5-dimethyl-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3,5-dimethyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H22N4O5/c1-13-19(14(2)24(23-13)16-6-4-3-5-7-16)21(28)22-18(12-26)20(27)15-8-10-17(11-9-15)25(29)30/h3-11,18,20,26-27H,12H2,1-2H3,(H,22,28)