N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-homoveratryl-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C16H20N4O5 MolecularWeight: 348.3538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O5/c1-10-15(20(22)23)14(18-19(10)2)16(21)17-8-7-11-5-6-12(24-3)13(9-11)25-4/h5-6,9H,7-8H2,1-4H3,(H,17,21)