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

Systemtic Name: N-[(3,4-dimethoxyphenyl)-(5-nitro-8-oxidanyl-quinolin-7-yl)methyl]pentanamide Openeye Name: N-[(3,4-dimethoxyphenyl)-(8-hydroxy-5-nitro-7-quinolyl)methyl]pentanamide CAS Name: N-[(3,4-dimethoxyphenyl)-(8-hydroxy-5-nitro-7-quinolinyl)methyl]pentanamide IUPAC Name: N-[(3,4-dimethoxyphenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide Traditional Name: N-[(3,4-dimethoxyphenyl)-(8-hydroxy-5-nitro-7-quinolyl)methyl]valeramide Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O6/c1-4-5-8-20(27)25-21(14-9-10-18(31-2)19(12-14)32-3)16-13-17(26(29)30)15-7-6-11-24-22(15)23(16)28/h6-7,9-13,21,28H,4-5,8H2,1-3H3,(H,25,27)