(4E)-2-(4-nitrophenyl)-5-phenyl-4-[(4-prop-2-enoxyphenyl)methylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(4-nitrophenyl)-5-phenyl-4-[(4-prop-2-enoxyphenyl)methylidene]pyrazol-3-one Openeye Name: (4E)-4-[(4-allyloxyphenyl)methylene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one CAS Name: (4E)-2-(4-nitrophenyl)-5-phenyl-4-[(4-prop-2-enoxyphenyl)methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(4-nitrophenyl)-5-phenyl-4-[(4-prop-2-enoxyphenyl)methylidene]pyrazol-3-one Traditional Name: (4E)-4-(4-allyloxybenzylidene)-2-(4-nitrophenyl)-5-phenyl-2-pyrazolin-3-one Formula: C25H19N3O4 MolecularWeight: 425.43606

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C=CCOC1=CC=C(C=C1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H19N3O4/c1-2-16-32-22-14-8-18(9-15-22)17-23-24(19-6-4-3-5-7-19)26-27(25(23)29)20-10-12-21(13-11-20)28(30)31/h2-15,17H,1,16H2/b23-17+