N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(E)-(5-nitro-2-thienyl)methyleneamino]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(E)-(5-nitro-2-thiophenyl)methylideneamino]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(E)-(5-nitro-2-thienyl)methyleneamino]-2-phenyl-cinchoninamide Formula: C21H14N4O3S MolecularWeight: 402.42586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N/N=C/C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O3S/c26-21(24-22-13-15-10-11-20(29-15)25(27)28)17-12-19(14-6-2-1-3-7-14)23-18-9-5-4-8-16(17)18/h1-13H,(H,24,26)/b22-13+