N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-2-(2-thienyl)cinchoninamide Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C21H15N3O4S/c25-19-8-7-14(24(27)28)10-13(19)12-22-21(26)16-11-18(20-6-3-9-29-20)23-17-5-2-1-4-15(16)17/h1-11,25H,12H2,(H,22,26)