N-[(3,4-diethoxyphenyl)methyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-1-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-(3,4-diethoxybenzyl)-1-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C17H22N4O5 MolecularWeight: 362.38038

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NCC2=CC(=C(C=C2)OCC)OCC)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCC2=CC(=C(C=C2)OCC)OCC)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O5/c1-4-20-11-13(21(23)24)16(19-20)17(22)18-10-12-7-8-14(25-5-2)15(9-12)26-6-3/h7-9,11H,4-6,10H2,1-3H3,(H,18,22)