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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-3-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-3-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-3-nitrophenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-3-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C25H20N4O5 MolecularWeight: 456.4501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H20N4O5/c1-16-7-9-18(14-21(16)29(31)32)26-25(30)20-15-28(19-5-3-2-4-6-19)27-24(20)17-8-10-22-23(13-17)34-12-11-33-22/h2-10,13-15H,11-12H2,1H3,(H,26,30)