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

Systemtic Name: N-[1,3-benzodioxol-5-yl-(5-nitro-8-oxidanyl-quinolin-7-yl)methyl]propanamide Openeye Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-5-nitro-7-quinolyl)methyl]propanamide CAS Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-5-nitro-7-quinolinyl)methyl]propanamide IUPAC Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide Traditional Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-5-nitro-7-quinolyl)methyl]propionamide Formula: C20H17N3O6 MolecularWeight: 395.36548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O6/c1-2-17(24)22-18(11-5-6-15-16(8-11)29-10-28-15)13-9-14(23(26)27)12-4-3-7-21-19(12)20(13)25/h3-9,18,25H,2,10H2,1H3,(H,22,24)