(4E)-5-tert-butyl-2-(4-nitrophenyl)-4-[(3-phenoxyphenyl)methylidene]pyrazol-3-one

Systemtic Name: (4E)-5-tert-butyl-2-(4-nitrophenyl)-4-[(3-phenoxyphenyl)methylidene]pyrazol-3-one Openeye Name: (4E)-5-tert-butyl-2-(4-nitrophenyl)-4-[(3-phenoxyphenyl)methylene]pyrazol-3-one CAS Name: (4E)-5-tert-butyl-2-(4-nitrophenyl)-4-[(3-phenoxyphenyl)methylidene]-3-pyrazolone IUPAC Name: (4E)-5-tert-butyl-2-(4-nitrophenyl)-4-[(3-phenoxyphenyl)methylidene]pyrazol-3-one Traditional Name: (4E)-5-tert-butyl-2-(4-nitrophenyl)-4-(3-phenoxybenzylidene)-2-pyrazolin-3-one Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1=CC2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C\1=NN(C(=O)/C1=C/C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H23N3O4/c1-26(2,3)24-23(25(30)28(27-24)19-12-14-20(15-13-19)29(31)32)17-18-8-7-11-22(16-18)33-21-9-5-4-6-10-21/h4-17H,1-3H3/b23-17+