N-(5-nitro-2-oxidanyl-phenyl)-2-oxidanyl-4-oxidanylidene-1-pentyl-quinoline-3-carboxamide

Systemtic Name: N-(5-nitro-2-oxidanyl-phenyl)-2-oxidanyl-4-oxidanylidene-1-pentyl-quinoline-3-carboxamide Openeye Name: 2-hydroxy-N-(2-hydroxy-5-nitro-phenyl)-4-oxo-1-pentyl-quinoline-3-carboxamide CAS Name: 2-hydroxy-N-(2-hydroxy-5-nitrophenyl)-4-oxo-1-pentyl-3-quinolinecarboxamide IUPAC Name: 2-hydroxy-N-(2-hydroxy-5-nitrophenyl)-4-oxo-1-pentylquinoline-3-carboxamide Traditional Name: 1-amyl-2-hydroxy-N-(2-hydroxy-5-nitro-phenyl)-4-keto-quinoline-3-carboxamide Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H21N3O6/c1-2-3-6-11-23-16-8-5-4-7-14(16)19(26)18(21(23)28)20(27)22-15-12-13(24(29)30)9-10-17(15)25/h4-5,7-10,12,25,28H,2-3,6,11H2,1H3,(H,22,27)