N-[3-(5-methyl-2-propan-2-yl-phenoxy)-5-nitro-phenyl]pyridine-4-carboxamide

Systemtic Name: N-[3-(5-methyl-2-propan-2-yl-phenoxy)-5-nitro-phenyl]pyridine-4-carboxamide Openeye Name: N-[3-(2-isopropyl-5-methyl-phenoxy)-5-nitro-phenyl]pyridine-4-carboxamide CAS Name: N-[3-(5-methyl-2-propan-2-ylphenoxy)-5-nitrophenyl]-4-pyridinecarboxamide IUPAC Name: N-[3-(5-methyl-2-propan-2-ylphenoxy)-5-nitrophenyl]pyridine-4-carboxamide Traditional Name: N-[3-(2-isopropyl-5-methyl-phenoxy)-5-nitro-phenyl]isonicotinamide Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=NC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C22H21N3O4/c1-14(2)20-5-4-15(3)10-21(20)29-19-12-17(11-18(13-19)25(27)28)24-22(26)16-6-8-23-9-7-16/h4-14H,1-3H3,(H,24,26)