1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(3-nitrophenyl)pyrazole-4-carboxamide

Systemtic Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(3-nitrophenyl)pyrazole-4-carboxamide Openeye Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(3-nitrophenyl)pyrazole-4-carboxamide CAS Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(3-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(3-nitrophenyl)pyrazole-4-carboxamide Traditional Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(3-nitrophenyl)pyrazole-4-carboxamide Formula: C21H19N5O5 MolecularWeight: 421.40606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])CCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])CCC#N)OC

InChI

InChI=1S/C21H19N5O5/c1-30-18-8-7-14(11-19(18)31-2)20-17(13-25(24-20)10-4-9-22)21(27)23-15-5-3-6-16(12-15)26(28)29/h3,5-8,11-13H,4,10H2,1-2H3,(H,23,27)