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

Systemtic Name: (4E)-2-(3-bromophenyl)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(3-bromophenyl)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(3-bromophenyl)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(3-bromophenyl)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(3-bromophenyl)-4-(3-methoxy-4-propargyloxy-benzylidene)-5-methyl-2-pyrazolin-3-one Formula: C21H17BrN2O3 MolecularWeight: 425.27528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCC#C)OC)C3=CC(=CC=C3)Br

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OCC#C)OC)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H17BrN2O3/c1-4-10-27-19-9-8-15(12-20(19)26-3)11-18-14(2)23-24(21(18)25)17-7-5-6-16(22)13-17/h1,5-9,11-13H,10H2,2-3H3/b18-11+