1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-2-nitro-phenyl)pyrazole-4-carboxamide

Systemtic Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-2-nitro-phenyl)pyrazole-4-carboxamide Openeye Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-2-nitro-phenyl)pyrazole-4-carboxamide CAS Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-2-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-2-nitrophenyl)pyrazole-4-carboxamide Traditional Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-2-nitro-phenyl)pyrazole-4-carboxamide Formula: C22H19N5O5 MolecularWeight: 433.41676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)CCC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O5/c1-14-3-5-17(18(11-14)27(29)30)24-22(28)16-13-26(8-2-7-23)25-21(16)15-4-6-19-20(12-15)32-10-9-31-19/h3-6,11-13H,2,8-10H2,1H3,(H,24,28)