4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide Formula: C20H20N4O4 MolecularWeight: 380.3972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4/c1-13-19(24(26)27)14(2)23(22-13)12-15-4-6-16(7-5-15)20(25)21-17-8-10-18(28-3)11-9-17/h4-11H,12H2,1-3H3,(H,21,25)