N-[(4-chlorophenyl)-(5-nitro-8-oxidanyl-quinolin-7-yl)methyl]-2-methyl-propanamide

Systemtic Name: N-[(4-chlorophenyl)-(5-nitro-8-oxidanyl-quinolin-7-yl)methyl]-2-methyl-propanamide Openeye Name: N-[(4-chlorophenyl)-(8-hydroxy-5-nitro-7-quinolyl)methyl]-2-methyl-propanamide CAS Name: N-[(4-chlorophenyl)-(8-hydroxy-5-nitro-7-quinolinyl)methyl]-2-methylpropanamide IUPAC Name: N-[(4-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide Traditional Name: N-[(4-chlorophenyl)-(8-hydroxy-5-nitro-7-quinolyl)methyl]-2-methyl-propionamide Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O4/c1-11(2)20(26)23-17(12-5-7-13(21)8-6-12)15-10-16(24(27)28)14-4-3-9-22-18(14)19(15)25/h3-11,17,25H,1-2H3,(H,23,26)