(4E)-2-(3-bromophenyl)-5-methyl-4-[(2-prop-2-enoxyphenyl)methylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(3-bromophenyl)-5-methyl-4-[(2-prop-2-enoxyphenyl)methylidene]pyrazol-3-one Openeye Name: (4E)-4-[(2-allyloxyphenyl)methylene]-2-(3-bromophenyl)-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(3-bromophenyl)-5-methyl-4-[(2-prop-2-enoxyphenyl)methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(3-bromophenyl)-5-methyl-4-[(2-prop-2-enoxyphenyl)methylidene]pyrazol-3-one Traditional Name: (4E)-4-(2-allyloxybenzylidene)-2-(3-bromophenyl)-5-methyl-2-pyrazolin-3-one Formula: C20H17BrN2O2 MolecularWeight: 397.26518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CC=C2OCC=C)C3=CC(=CC=C3)Br

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=CC=C2OCC=C)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H17BrN2O2/c1-3-11-25-19-10-5-4-7-15(19)12-18-14(2)22-23(20(18)24)17-9-6-8-16(21)13-17/h3-10,12-13H,1,11H2,2H3/b18-12+