N-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-2-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-2-(4-nitropyrazol-1-yl)butyramide Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C(=C1)C(C)C)O)C)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C(=C1)C(C)C)O)C)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4/c1-5-15(20-9-12(8-18-20)21(24)25)17(23)19-14-7-13(10(2)3)16(22)6-11(14)4/h6-10,15,22H,5H2,1-4H3,(H,19,23)