N-(2-chloranyl-5-nitro-phenyl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-(1-ethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-(1-ethylpyrazol-4-yl)cinchoninamide Formula: C21H16ClN5O3 MolecularWeight: 421.83644

Click to see the large picture

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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN5O3/c1-2-26-12-13(11-23-26)19-10-16(15-5-3-4-6-18(15)24-19)21(28)25-20-9-14(27(29)30)7-8-17(20)22/h3-12H,2H2,1H3,(H,25,28)