N-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-2-(3-nitrophenoxy)pyridine-3-carboxamide

Systemtic Name: N-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-2-(3-nitrophenoxy)pyridine-3-carboxamide Openeye Name: N-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]-2-(3-nitrophenoxy)pyridine-3-carboxamide CAS Name: N-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-(3-nitrophenoxy)-3-pyridinecarboxamide IUPAC Name: N-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-(3-nitrophenoxy)pyridine-3-carboxamide Traditional Name: N-(4-hydroxy-3,5-dimethyl-benzyl)-2-(3-nitrophenoxy)nicotinamide Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC(=O)C2=C(N=CC=C2)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC(=O)C2=C(N=CC=C2)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5/c1-13-9-15(10-14(2)19(13)25)12-23-20(26)18-7-4-8-22-21(18)29-17-6-3-5-16(11-17)24(27)28/h3-11,25H,12H2,1-2H3,(H,23,26)