N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

Systemtic Name: N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-(1-pyrazolylmethyl)-2-furancarboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-5-(pyrazol-1-ylmethyl)-2-furamide Formula: C18H18N4O6 MolecularWeight: 386.35872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CC2=CC=C(O2)C(=O)NC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CN(N=C1)CC2=CC=C(O2)C(=O)NC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H18N4O6/c23-11-15(17(24)12-2-4-13(5-3-12)22(26)27)20-18(25)16-7-6-14(28-16)10-21-9-1-8-19-21/h1-9,15,17,23-24H,10-11H2,(H,20,25)