2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-oxidanyl-2-phenyl-ethyl)benzamide

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-oxidanyl-2-phenyl-ethyl)benzamide Openeye Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-hydroxy-2-phenyl-ethyl)benzamide CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(2-hydroxy-2-phenylethyl)benzamide IUPAC Name: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(2-hydroxy-2-phenylethyl)benzamide Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-hydroxy-2-phenyl-ethyl)benzamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)NCC(C3=CC=CC=C3)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)NCC(C3=CC=CC=C3)O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-14-20(25(28)29)15(2)24(23-14)13-17-10-6-7-11-18(17)21(27)22-12-19(26)16-8-4-3-5-9-16/h3-11,19,26H,12-13H2,1-2H3,(H,22,27)