2-[(3-nitro-4-oxidanyl-phenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[(3-nitro-4-oxidanyl-phenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide Openeye Name: 2-[(4-hydroxy-3-nitro-phenyl)methylamino]-N-(4-isopropylphenyl)pyridine-3-carboxamide CAS Name: 2-[(4-hydroxy-3-nitrophenyl)methylamino]-N-(4-propan-2-ylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(4-hydroxy-3-nitrophenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(4-hydroxy-3-nitro-benzyl)amino]-N-p-cumenyl-nicotinamide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)NCC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)NCC3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4/c1-14(2)16-6-8-17(9-7-16)25-22(28)18-4-3-11-23-21(18)24-13-15-5-10-20(27)19(12-15)26(29)30/h3-12,14,27H,13H2,1-2H3,(H,23,24)(H,25,28)