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

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]acetamide CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(2-hydroxy-5-nitro-benzyl)acetamide Formula: C20H20N4O4 MolecularWeight: 380.3972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H20N4O4/c1-13-18(14(2)23(22-13)16-6-4-3-5-7-16)11-20(26)21-12-15-10-17(24(27)28)8-9-19(15)25/h3-10,25H,11-12H2,1-2H3,(H,21,26)