3-(4-methylphenyl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-methylphenyl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-1H-pyrazole-5-carboxamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3-(p-tolyl)-1H-pyrazole-5-carboxamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-3-(p-tolyl)-1H-pyrazole-5-carboxamide Formula: C20H20N4O5 MolecularWeight: 396.3966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H20N4O5/c1-12-2-4-13(5-3-12)16-10-17(23-22-16)20(27)21-18(11-25)19(26)14-6-8-15(9-7-14)24(28)29/h2-10,18-19,25-26H,11H2,1H3,(H,21,27)(H,22,23)