N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: 1-ethyl-N-homoveratryl-4-nitro-pyrazole-3-carboxamide Formula: C16H20N4O5 MolecularWeight: 348.3538

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O5/c1-4-19-10-12(20(22)23)15(18-19)16(21)17-8-7-11-5-6-13(24-2)14(9-11)25-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,21)