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

Systemtic Name: (4E)-2-(4-nitrophenyl)-5-phenyl-4-[(2-prop-2-enoxyphenyl)methylidene]pyrazol-3-one Openeye Name: (4E)-4-[(2-allyloxyphenyl)methylene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one CAS Name: (4E)-2-(4-nitrophenyl)-5-phenyl-4-[(2-prop-2-enoxyphenyl)methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(4-nitrophenyl)-5-phenyl-4-[(2-prop-2-enoxyphenyl)methylidene]pyrazol-3-one Traditional Name: (4E)-4-(2-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=CC=C1C=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O4/c1-2-16-32-23-11-7-6-10-19(23)17-22-24(18-8-4-3-5-9-18)26-27(25(22)29)20-12-14-21(15-13-20)28(30)31/h2-15,17H,1,16H2/b22-17+