(2Z)-5,6-dimethyl-2-[[1-(4-nitrophenyl)-3-phenyl-pyrazol-4-yl]methylidene]-1-benzofuran-3-one

Systemtic Name: (2Z)-5,6-dimethyl-2-[[1-(4-nitrophenyl)-3-phenyl-pyrazol-4-yl]methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-5,6-dimethyl-2-[[1-(4-nitrophenyl)-3-phenyl-pyrazol-4-yl]methylene]benzofuran-3-one CAS Name: (2Z)-5,6-dimethyl-2-[[1-(4-nitrophenyl)-3-phenyl-4-pyrazolyl]methylidene]-3-benzofuranone IUPAC Name: (2Z)-5,6-dimethyl-2-[[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-5,6-dimethyl-2-[[1-(4-nitrophenyl)-3-phenyl-pyrazol-4-yl]methylene]coumaran-3-one Formula: C26H19N3O4 MolecularWeight: 437.44676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])O2)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)/C(=C/C3=CN(N=C3C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])/O2)C

InChI

InChI=1S/C26H19N3O4/c1-16-12-22-23(13-17(16)2)33-24(26(22)30)14-19-15-28(20-8-10-21(11-9-20)29(31)32)27-25(19)18-6-4-3-5-7-18/h3-15H,1-2H3/b24-14-