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

Systemtic Name: N-[(3,4-dimethoxyphenyl)-(5-nitro-8-oxidanyl-quinolin-7-yl)methyl]butanamide Openeye Name: N-[(3,4-dimethoxyphenyl)-(8-hydroxy-5-nitro-7-quinolyl)methyl]butanamide CAS Name: N-[(3,4-dimethoxyphenyl)-(8-hydroxy-5-nitro-7-quinolinyl)methyl]butanamide IUPAC Name: N-[(3,4-dimethoxyphenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]butanamide Traditional Name: N-[(3,4-dimethoxyphenyl)-(8-hydroxy-5-nitro-7-quinolyl)methyl]butyramide Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6/c1-4-6-19(26)24-20(13-8-9-17(30-2)18(11-13)31-3)15-12-16(25(28)29)14-7-5-10-23-21(14)22(15)27/h5,7-12,20,27H,4,6H2,1-3H3,(H,24,26)