N-[1,3-benzodioxol-5-yl-(5-nitro-8-oxidanyl-quinolin-7-yl)methyl]-2-methyl-propanamide

Systemtic Name: N-[1,3-benzodioxol-5-yl-(5-nitro-8-oxidanyl-quinolin-7-yl)methyl]-2-methyl-propanamide Openeye Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-5-nitro-7-quinolyl)methyl]-2-methyl-propanamide CAS Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-5-nitro-7-quinolinyl)methyl]-2-methylpropanamide IUPAC Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide Traditional Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-5-nitro-7-quinolyl)methyl]-2-methyl-propionamide Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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