N-[1,3-benzodioxol-5-yl-(5-nitro-8-oxidanyl-quinolin-7-yl)methyl]pentanamide

Systemtic Name: N-[1,3-benzodioxol-5-yl-(5-nitro-8-oxidanyl-quinolin-7-yl)methyl]pentanamide Openeye Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-5-nitro-7-quinolyl)methyl]pentanamide CAS Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-5-nitro-7-quinolinyl)methyl]pentanamide IUPAC Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide Traditional Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-5-nitro-7-quinolyl)methyl]valeramide Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(C1=CC2=C(C=C1)OCO2)C3=CC(=C4C=CC=NC4=C3O)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)NC(C1=CC2=C(C=C1)OCO2)C3=CC(=C4C=CC=NC4=C3O)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6/c1-2-3-6-19(26)24-20(13-7-8-17-18(10-13)31-12-30-17)15-11-16(25(28)29)14-5-4-9-23-21(14)22(15)27/h4-5,7-11,20,27H,2-3,6,12H2,1H3,(H,24,26)