N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-2-(2-thienyl)cinchoninamide Formula: C22H14N4O5S MolecularWeight: 446.43536

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C22H14N4O5S/c27-22(25-23-11-13-8-19-20(31-12-30-19)10-18(13)26(28)29)15-9-17(21-6-3-7-32-21)24-16-5-2-1-4-14(15)16/h1-11H,12H2,(H,25,27)/b23-11+