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

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methylpropanamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanamide Traditional Name: N-(3,4-diethoxybenzyl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propionamide Formula: C20H28N4O5 MolecularWeight: 404.46012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C(C)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C(C)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)OCC

InChI

InChI=1S/C20H28N4O5/c1-6-28-17-9-8-16(10-18(17)29-7-2)11-21-20(25)13(3)12-23-15(5)19(24(26)27)14(4)22-23/h8-10,13H,6-7,11-12H2,1-5H3,(H,21,25)