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

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-(3,4-diethoxybenzyl)-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C16H20N4O5 MolecularWeight: 348.3538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=NN(C=C2[N+](=O)[O-])C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=NN(C=C2[N+](=O)[O-])C)OCC

InChI

InChI=1S/C16H20N4O5/c1-4-24-13-7-6-11(8-14(13)25-5-2)9-17-16(21)15-12(20(22)23)10-19(3)18-15/h6-8,10H,4-5,9H2,1-3H3,(H,17,21)