5-nitro-2-oxidanylidene-1-[2-oxidanyl-3-[4-(3-oxidanylidenebutyl)phenoxy]propyl]pyridine-3-carboxamide

Systemtic Name: 5-nitro-2-oxidanylidene-1-[2-oxidanyl-3-[4-(3-oxidanylidenebutyl)phenoxy]propyl]pyridine-3-carboxamide Openeye Name: 1-[2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-5-nitro-2-oxo-pyridine-3-carboxamide CAS Name: 1-[2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-5-nitro-2-oxo-3-pyridinecarboxamide IUPAC Name: 1-[2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-5-nitro-2-oxopyridine-3-carboxamide Traditional Name: 1-[2-hydroxy-3-[4-(3-ketobutyl)phenoxy]propyl]-2-keto-5-nitro-nicotinamide Formula: C19H21N3O7 MolecularWeight: 403.38594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC(CN2C=C(C=C(C2=O)C(=O)N)[N+](=O)[O-])O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCC(CN2C=C(C=C(C2=O)C(=O)N)[N+](=O)[O-])O

InChI

InChI=1S/C19H21N3O7/c1-12(23)2-3-13-4-6-16(7-5-13)29-11-15(24)10-21-9-14(22(27)28)8-17(18(20)25)19(21)26/h4-9,15,24H,2-3,10-11H2,1H3,(H2,20,25)