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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-nitro-1H-pyrazole-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-nitro-1H-pyrazole-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-nitro-1H-pyrazole-3-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-nitro-1H-pyrazole-3-carboxamide Traditional Name: N-homoveratryl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide Formula: C15H18N4O5 MolecularWeight: 334.32722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O5/c1-9-14(19(21)22)13(18-17-9)15(20)16-7-6-10-4-5-11(23-2)12(8-10)24-3/h4-5,8H,6-7H2,1-3H3,(H,16,20)(H,17,18)