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

Systemtic Name: N-[(4-chlorophenyl)-(5-nitro-8-oxidanyl-quinolin-7-yl)methyl]pentanamide Openeye Name: N-[(4-chlorophenyl)-(8-hydroxy-5-nitro-7-quinolyl)methyl]pentanamide CAS Name: N-[(4-chlorophenyl)-(8-hydroxy-5-nitro-7-quinolinyl)methyl]pentanamide IUPAC Name: N-[(4-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide Traditional Name: N-[(4-chlorophenyl)-(8-hydroxy-5-nitro-7-quinolyl)methyl]valeramide Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4/c1-2-3-6-18(26)24-19(13-7-9-14(22)10-8-13)16-12-17(25(28)29)15-5-4-11-23-20(15)21(16)27/h4-5,7-12,19,27H,2-3,6H2,1H3,(H,24,26)