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

Systemtic Name: 1-ethyl-3,5-dimethyl-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]pyrazole-4-carboxamide Openeye Name: 1-ethyl-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1-ethyl-3,5-dimethyl-4-pyrazolecarboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide Traditional Name: 1-ethyl-N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-3,5-dimethyl-pyrazole-4-carboxamide Formula: C17H22N4O5 MolecularWeight: 362.38038

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C17H22N4O5/c1-4-20-11(3)15(10(2)19-20)17(24)18-14(9-22)16(23)12-5-7-13(8-6-12)21(25)26/h5-8,14,16,22-23H,4,9H2,1-3H3,(H,18,24)