N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-3,4-dinitro-1-pyrazolyl)acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide Traditional Name: N-homoveratryl-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetamide Formula: C16H19N5O7 MolecularWeight: 393.35136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O7/c1-10-15(20(23)24)16(21(25)26)18-19(10)9-14(22)17-7-6-11-4-5-12(27-2)13(8-11)28-3/h4-5,8H,6-7,9H2,1-3H3,(H,17,22)