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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: N-homoveratryl-1-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5/c1-28-18-8-3-14(11-19(18)29-2)9-10-21-20(25)15-12-22-23(13-15)16-4-6-17(7-5-16)24(26)27/h3-8,11-13H,9-10H2,1-2H3,(H,21,25)