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

Systemtic Name: (4E)-2-(3-bromophenyl)-4-[(3-methoxy-4-propan-2-yloxy-phenyl)methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(3-bromophenyl)-4-[(4-isopropoxy-3-methoxy-phenyl)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(3-bromophenyl)-4-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(3-bromophenyl)-4-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(3-bromophenyl)-4-(4-isopropoxy-3-methoxy-benzylidene)-5-methyl-2-pyrazolin-3-one Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O3/c1-13(2)27-19-9-8-15(11-20(19)26-4)10-18-14(3)23-24(21(18)25)17-7-5-6-16(22)12-17/h5-13H,1-4H3/b18-10+