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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-homoveratryl-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O6/c1-29-19-8-7-15(13-20(19)30-2)9-11-22-21(26)16-10-12-24(23-16)14-31-18-6-4-3-5-17(18)25(27)28/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,22,26)