N-[(3,4-diethoxyphenyl)methyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(3,4-diethoxybenzyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propionamide Formula: C19H26N4O5 MolecularWeight: 390.43354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C(C)N2C(=C(C(=N2)C)[N+](=O)[O-])C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C(C)N2C(=C(C(=N2)C)[N+](=O)[O-])C)OCC

InChI

InChI=1S/C19H26N4O5/c1-6-27-16-9-8-15(10-17(16)28-7-2)11-20-19(24)14(5)22-13(4)18(23(25)26)12(3)21-22/h8-10,14H,6-7,11H2,1-5H3,(H,20,24)