N-(2-cyano-4-nitro-phenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-(1-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-(1-methylpyrazol-4-yl)cinchoninamide Formula: C21H14N6O3 MolecularWeight: 398.37426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H14N6O3/c1-26-12-14(11-23-26)20-9-17(16-4-2-3-5-19(16)24-20)21(28)25-18-7-6-15(27(29)30)8-13(18)10-22/h2-9,11-12H,1H3,(H,25,28)