2-(1,3-benzodioxol-5-yl)-N-(4-ethoxy-2-nitro-phenyl)quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(4-ethoxy-2-nitro-phenyl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(4-ethoxy-2-nitro-phenyl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(4-ethoxy-2-nitrophenyl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(4-ethoxy-2-nitrophenyl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(4-ethoxy-2-nitro-phenyl)cinchoninamide Formula: C25H19N3O6 MolecularWeight: 457.43486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O6/c1-2-32-16-8-9-20(22(12-16)28(30)31)27-25(29)18-13-21(26-19-6-4-3-5-17(18)19)15-7-10-23-24(11-15)34-14-33-23/h3-13H,2,14H2,1H3,(H,27,29)