N-(2-cyano-4-nitro-phenyl)-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(2-cyano-4-nitrophenyl)-1-[(2,6-dimethoxyphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide Formula: C20H17N5O6 MolecularWeight: 423.37888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H17N5O6/c1-29-17-4-3-5-18(30-2)19(17)31-12-24-9-8-16(23-24)20(26)22-15-7-6-14(25(27)28)10-13(15)11-21/h3-10H,12H2,1-2H3,(H,22,26)