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

Systemtic Name: (4E)-5-methyl-4-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-5-methyl-4-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylene]-2-phenyl-pyrazol-3-one CAS Name: (4E)-5-methyl-4-[[1-[(4-nitrophenyl)methyl]-3-indolyl]methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4E)-5-methyl-4-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-2-phenylpyrazol-3-one Traditional Name: (4E)-5-methyl-4-[[1-(4-nitrobenzyl)indol-3-yl]methylene]-2-phenyl-2-pyrazolin-3-one Formula: C26H20N4O3 MolecularWeight: 436.462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C26H20N4O3/c1-18-24(26(31)29(27-18)21-7-3-2-4-8-21)15-20-17-28(25-10-6-5-9-23(20)25)16-19-11-13-22(14-12-19)30(32)33/h2-15,17H,16H2,1H3/b24-15+