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

Systemtic Name: 2-(1-methylpyrazol-4-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-(1-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-2-(1-methylpyrazol-4-yl)cinchoninamide Formula: C23H21N5O5 MolecularWeight: 447.44334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(CO)C(C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(CO)C(C4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C23H21N5O5/c1-27-12-15(11-24-27)20-10-18(17-4-2-3-5-19(17)25-20)23(31)26-21(13-29)22(30)14-6-8-16(9-7-14)28(32)33/h2-12,21-22,29-30H,13H2,1H3,(H,26,31)