N-[2,6-bis(bromanyl)-4-nitro-phenyl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[2,6-bis(bromanyl)-4-nitro-phenyl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(2,6-dibromo-4-nitro-phenyl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(2,6-dibromo-4-nitrophenyl)-2-(1,5-dimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(2,6-dibromo-4-nitrophenyl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(2,6-dibromo-4-nitro-phenyl)-2-(1,5-dimethylpyrazol-4-yl)cinchoninamide Formula: C21H15Br2N5O3 MolecularWeight: 545.1835

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4Br)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=NN1C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4Br)[N+](=O)[O-])Br

InChI

InChI=1S/C21H15Br2N5O3/c1-11-15(10-24-27(11)2)19-9-14(13-5-3-4-6-18(13)25-19)21(29)26-20-16(22)7-12(28(30)31)8-17(20)23/h3-10H,1-2H3,(H,26,29)