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

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(3,4-diethoxybenzyl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propionamide Formula: C19H26N4O5 MolecularWeight: 390.43354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C)OCC

InChI

InChI=1S/C19H26N4O5/c1-5-27-16-8-7-15(11-17(16)28-6-2)12-20-18(24)9-10-22-14(4)19(23(25)26)13(3)21-22/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,20,24)