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

Systemtic Name: N-[(2,4-dichlorophenyl)-(5-nitro-8-oxidanyl-quinolin-7-yl)methyl]butanamide Openeye Name: N-[(2,4-dichlorophenyl)-(8-hydroxy-5-nitro-7-quinolyl)methyl]butanamide CAS Name: N-[(2,4-dichlorophenyl)-(8-hydroxy-5-nitro-7-quinolinyl)methyl]butanamide IUPAC Name: N-[(2,4-dichlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]butanamide Traditional Name: N-[(2,4-dichlorophenyl)-(8-hydroxy-5-nitro-7-quinolyl)methyl]butyramide Formula: C20H17Cl2N3O4 MolecularWeight: 434.27268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2N3O4/c1-2-4-17(26)24-18(12-7-6-11(21)9-15(12)22)14-10-16(25(28)29)13-5-3-8-23-19(13)20(14)27/h3,5-10,18,27H,2,4H2,1H3,(H,24,26)