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

Systemtic Name: N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1-(1-pyrazolylmethyl)-3-pyrazolecarboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide Formula: C17H18N6O5 MolecularWeight: 386.36202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CN2C=CC(=N2)C(=O)NC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CN(N=C1)CN2C=CC(=N2)C(=O)NC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H18N6O5/c24-10-15(16(25)12-2-4-13(5-3-12)23(27)28)19-17(26)14-6-9-22(20-14)11-21-8-1-7-18-21/h1-9,15-16,24-25H,10-11H2,(H,19,26)