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

Systemtic Name: (2Z)-5-methyl-2-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-5-methyl-2-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]benzofuran-3-one CAS Name: (2Z)-5-methyl-2-[[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-benzofuranone IUPAC Name: (2Z)-5-methyl-2-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-5-methyl-2-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]coumaran-3-one Formula: C25H17N3O4 MolecularWeight: 423.42018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC3=CN(N=C3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5)C2=O

Isomeric SMILES

CC1=CC2=C(C=C1)O/C(=C\C3=CN(N=C3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5)/C2=O

InChI

InChI=1S/C25H17N3O4/c1-16-10-11-22-21(12-16)25(29)23(32-22)14-18-15-27(19-7-3-2-4-8-19)26-24(18)17-6-5-9-20(13-17)28(30)31/h2-15H,1H3/b23-14-