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

Systemtic Name: 1-(methoxymethyl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]pyrazole-3-carboxamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-1-(methoxymethyl)pyrazole-3-carboxamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1-(methoxymethyl)-3-pyrazolecarboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1-(methoxymethyl)pyrazole-3-carboxamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-1-(methoxymethyl)pyrazole-3-carboxamide Formula: C15H18N4O6 MolecularWeight: 350.32662

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Descriptors Computed from Structure

Canonical SMILES:

COCN1C=CC(=N1)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

COCN1C=CC(=N1)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C15H18N4O6/c1-25-9-18-7-6-12(17-18)15(22)16-13(8-20)14(21)10-2-4-11(5-3-10)19(23)24/h2-7,13-14,20-21H,8-9H2,1H3,(H,16,22)