N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-homoveratryl-2-(4-nitropyrazol-1-yl)propionamide Formula: C16H20N4O5 MolecularWeight: 348.3538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O5/c1-11(19-10-13(9-18-19)20(22)23)16(21)17-7-6-12-4-5-14(24-2)15(8-12)25-3/h4-5,8-11H,6-7H2,1-3H3,(H,17,21)