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

Systemtic Name: N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-1-(phenoxymethyl)pyrazole-3-carboxamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-1-(phenoxymethyl)pyrazole-3-carboxamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1-(phenoxymethyl)-3-pyrazolecarboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1-(phenoxymethyl)pyrazole-3-carboxamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-1-(phenoxymethyl)pyrazole-3-carboxamide Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H20N4O6/c25-12-18(19(26)14-6-8-15(9-7-14)24(28)29)21-20(27)17-10-11-23(22-17)13-30-16-4-2-1-3-5-16/h1-11,18-19,25-26H,12-13H2,(H,21,27)