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

Systemtic Name: 2-ethyl-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]pyrazole-3-carboxamide Openeye Name: 2-ethyl-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-ethylpyrazole-3-carboxamide Traditional Name: 2-ethyl-N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide Formula: C15H18N4O5 MolecularWeight: 334.32722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O5/c1-2-18-13(7-8-16-18)15(22)17-12(9-20)14(21)10-3-5-11(6-4-10)19(23)24/h3-8,12,14,20-21H,2,9H2,1H3,(H,17,22)