N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[3-(4-chlorophenoxy)-5-nitro-phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2-(1-ethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[3-(4-chlorophenoxy)-5-nitro-phenyl]-2-(1-ethylpyrazol-4-yl)cinchoninamide Formula: C27H20ClN5O4 MolecularWeight: 513.9318

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=C4)OC5=CC=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=C4)OC5=CC=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H20ClN5O4/c1-2-32-16-17(15-29-32)26-14-24(23-5-3-4-6-25(23)31-26)27(34)30-19-11-20(33(35)36)13-22(12-19)37-21-9-7-18(28)8-10-21/h3-16H,2H2,1H3,(H,30,34)