(4E)-4-[(E)-1-(4-bromophenyl)-3-(3-nitrophenyl)prop-2-enylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[(E)-1-(4-bromophenyl)-3-(3-nitrophenyl)prop-2-enylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[(E)-1-(4-bromophenyl)-3-(3-nitrophenyl)prop-2-enylidene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[(E)-1-(4-bromophenyl)-3-(3-nitrophenyl)prop-2-enylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[(E)-1-(4-bromophenyl)-3-(3-nitrophenyl)prop-2-enylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[(E)-1-(4-bromophenyl)-3-(3-nitrophenyl)prop-2-enylidene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C25H18BrN3O3 MolecularWeight: 488.33272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C=CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C(\C=C\C2=CC(=CC=C2)[N+](=O)[O-])/C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C25H18BrN3O3/c1-17-24(25(30)28(27-17)21-7-3-2-4-8-21)23(19-11-13-20(26)14-12-19)15-10-18-6-5-9-22(16-18)29(31)32/h2-16H,1H3/b15-10+,24-23+