N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxy-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide Traditional Name: N-homoveratryl-3-(3-methoxy-4-nitro-pyrazol-1-yl)propionamide Formula: C17H22N4O6 MolecularWeight: 378.37978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCN2C=C(C(=N2)OC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCN2C=C(C(=N2)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C17H22N4O6/c1-25-14-5-4-12(10-15(14)26-2)6-8-18-16(22)7-9-20-11-13(21(23)24)17(19-20)27-3/h4-5,10-11H,6-9H2,1-3H3,(H,18,22)