5-nitro-2-oxidanylidene-1-[2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]pyridine-3-carboxamide

Systemtic Name: 5-nitro-2-oxidanylidene-1-[2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]pyridine-3-carboxamide Openeye Name: 1-[2-hydroxy-3-(2-isopropylphenoxy)propyl]-5-nitro-2-oxo-pyridine-3-carboxamide CAS Name: 1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-nitro-2-oxo-3-pyridinecarboxamide IUPAC Name: 1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide Traditional Name: 1-[2-hydroxy-3-(2-isopropylphenoxy)propyl]-2-keto-5-nitro-nicotinamide Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(CN2C=C(C=C(C2=O)C(=O)N)[N+](=O)[O-])O

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(CN2C=C(C=C(C2=O)C(=O)N)[N+](=O)[O-])O

InChI

InChI=1S/C18H21N3O6/c1-11(2)14-5-3-4-6-16(14)27-10-13(22)9-20-8-12(21(25)26)7-15(17(19)23)18(20)24/h3-8,11,13,22H,9-10H2,1-2H3,(H2,19,23)