N-[(3,4-dimethoxyphenyl)-(5-nitro-8-oxidanyl-quinolin-7-yl)methyl]propanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)-(5-nitro-8-oxidanyl-quinolin-7-yl)methyl]propanamide Openeye Name: N-[(3,4-dimethoxyphenyl)-(8-hydroxy-5-nitro-7-quinolyl)methyl]propanamide CAS Name: N-[(3,4-dimethoxyphenyl)-(8-hydroxy-5-nitro-7-quinolinyl)methyl]propanamide IUPAC Name: N-[(3,4-dimethoxyphenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide Traditional Name: N-[(3,4-dimethoxyphenyl)-(8-hydroxy-5-nitro-7-quinolyl)methyl]propionamide Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C1=CC(=C(C=C1)OC)OC)C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC(C1=CC(=C(C=C1)OC)OC)C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-4-18(25)23-19(12-7-8-16(29-2)17(10-12)30-3)14-11-15(24(27)28)13-6-5-9-22-20(13)21(14)26/h5-11,19,26H,4H2,1-3H3,(H,23,25)