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

Systemtic Name: N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-1,3-diphenyl-pyrazole-4-carboxamide Formula: C25H22N4O5 MolecularWeight: 458.46598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O5/c30-16-22(24(31)18-11-13-20(14-12-18)29(33)34)26-25(32)21-15-28(19-9-5-2-6-10-19)27-23(21)17-7-3-1-4-8-17/h1-15,22,24,30-31H,16H2,(H,26,32)