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

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-homoveratryl-pyrazole-3-carboxamide Formula: C21H21ClN4O6 MolecularWeight: 460.86764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O6/c1-30-19-5-3-14(11-20(19)31-2)7-9-23-21(27)17-8-10-25(24-17)13-32-18-6-4-15(26(28)29)12-16(18)22/h3-6,8,10-12H,7,9,13H2,1-2H3,(H,23,27)