1-(2-cyanoethyl)-N-(4-ethanoylphenyl)-3-(4-methoxy-3-nitro-phenyl)pyrazole-4-carboxamide

Systemtic Name: 1-(2-cyanoethyl)-N-(4-ethanoylphenyl)-3-(4-methoxy-3-nitro-phenyl)pyrazole-4-carboxamide Openeye Name: N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-(4-methoxy-3-nitro-phenyl)pyrazole-4-carboxamide CAS Name: N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-(4-methoxy-3-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-(4-methoxy-3-nitrophenyl)pyrazole-4-carboxamide Traditional Name: N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-(4-methoxy-3-nitro-phenyl)pyrazole-4-carboxamide Formula: C22H19N5O5 MolecularWeight: 433.41676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC(=C(C=C3)OC)[N+](=O)[O-])CCC#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC(=C(C=C3)OC)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C22H19N5O5/c1-14(28)15-4-7-17(8-5-15)24-22(29)18-13-26(11-3-10-23)25-21(18)16-6-9-20(32-2)19(12-16)27(30)31/h4-9,12-13H,3,11H2,1-2H3,(H,24,29)