N-(2-chloranyl-5-nitro-phenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-(1,3-dimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-(1,3-dimethylpyrazol-4-yl)cinchoninamide Formula: C21H16ClN5O3 MolecularWeight: 421.83644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=NN(C=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl)C

InChI

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