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

Systemtic Name: 1-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-5-nitro-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-5-nitro-2-oxo-pyridine-3-carboxamide CAS Name: 1-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-nitro-2-oxo-3-pyridinecarboxamide IUPAC Name: 1-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-nitro-2-oxopyridine-3-carboxamide Traditional Name: 1-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-2-keto-5-nitro-nicotinamide Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2C=C(C=C(C2=O)C(=O)N)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2C=C(C=C(C2=O)C(=O)N)[N+](=O)[O-])O

InChI

InChI=1S/C20H25N3O6/c1-12-7-13(20(2,3)4)5-6-17(12)29-11-15(24)10-22-9-14(23(27)28)8-16(18(21)25)19(22)26/h5-9,15,24H,10-11H2,1-4H3,(H2,21,25)