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

Systemtic Name: N-[1,3-benzodioxol-5-yl-(5-nitro-8-oxidanyl-quinolin-7-yl)methyl]butanamide Openeye Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-5-nitro-7-quinolyl)methyl]butanamide CAS Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-5-nitro-7-quinolinyl)methyl]butanamide IUPAC Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]butanamide Traditional Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-5-nitro-7-quinolyl)methyl]butyramide Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O6/c1-2-4-18(25)23-19(12-6-7-16-17(9-12)30-11-29-16)14-10-15(24(27)28)13-5-3-8-22-20(13)21(14)26/h3,5-10,19,26H,2,4,11H2,1H3,(H,23,25)