N-[(2,4-dichlorophenyl)-(5-nitro-8-oxidanyl-quinolin-7-yl)methyl]pentanamide

Systemtic Name: N-[(2,4-dichlorophenyl)-(5-nitro-8-oxidanyl-quinolin-7-yl)methyl]pentanamide Openeye Name: N-[(2,4-dichlorophenyl)-(8-hydroxy-5-nitro-7-quinolyl)methyl]pentanamide CAS Name: N-[(2,4-dichlorophenyl)-(8-hydroxy-5-nitro-7-quinolinyl)methyl]pentanamide IUPAC Name: N-[(2,4-dichlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide Traditional Name: N-[(2,4-dichlorophenyl)-(8-hydroxy-5-nitro-7-quinolyl)methyl]valeramide Formula: C21H19Cl2N3O4 MolecularWeight: 448.29926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19Cl2N3O4/c1-2-3-6-18(27)25-19(13-8-7-12(22)10-16(13)23)15-11-17(26(29)30)14-5-4-9-24-20(14)21(15)28/h4-5,7-11,19,28H,2-3,6H2,1H3,(H,25,27)