2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-(5-nitro-2-oxidanyl-phenyl)quinoline-4-carboxamide

Systemtic Name: 2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-(5-nitro-2-oxidanyl-phenyl)quinoline-4-carboxamide Openeye Name: 2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-(2-hydroxy-5-nitro-phenyl)quinoline-4-carboxamide CAS Name: 2-(1-ethyl-5-methyl-4-pyrazolyl)-N-(2-hydroxy-5-nitrophenyl)-4-quinolinecarboxamide IUPAC Name: 2-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-hydroxy-5-nitrophenyl)quinoline-4-carboxamide Traditional Name: 2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-(2-hydroxy-5-nitro-phenyl)cinchoninamide Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])O)C

Isomeric SMILES

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])O)C

InChI

InChI=1S/C22H19N5O4/c1-3-26-13(2)17(12-23-26)19-11-16(15-6-4-5-7-18(15)24-19)22(29)25-20-10-14(27(30)31)8-9-21(20)28/h4-12,28H,3H2,1-2H3,(H,25,29)