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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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