2-(1-ethylpyrazol-4-yl)-N-(4-methyl-3,5-dinitro-phenyl)quinoline-4-carboxamide

Systemtic Name: 2-(1-ethylpyrazol-4-yl)-N-(4-methyl-3,5-dinitro-phenyl)quinoline-4-carboxamide Openeye Name: 2-(1-ethylpyrazol-4-yl)-N-(4-methyl-3,5-dinitro-phenyl)quinoline-4-carboxamide CAS Name: 2-(1-ethyl-4-pyrazolyl)-N-(4-methyl-3,5-dinitrophenyl)-4-quinolinecarboxamide IUPAC Name: 2-(1-ethylpyrazol-4-yl)-N-(4-methyl-3,5-dinitrophenyl)quinoline-4-carboxamide Traditional Name: 2-(1-ethylpyrazol-4-yl)-N-(4-methyl-3,5-dinitro-phenyl)cinchoninamide Formula: C22H18N6O5 MolecularWeight: 446.41552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N6O5/c1-3-26-12-14(11-23-26)19-10-17(16-6-4-5-7-18(16)25-19)22(29)24-15-8-20(27(30)31)13(2)21(9-15)28(32)33/h4-12H,3H2,1-2H3,(H,24,29)