(E)-1-(4-bromophenyl)-3-[(2,5-dimethylphenyl)amino]but-2-en-1-one

Systemtic Name: (E)-1-(4-bromophenyl)-3-[(2,5-dimethylphenyl)amino]but-2-en-1-one Openeye Name: (E)-1-(4-bromophenyl)-3-(2,5-dimethylanilino)but-2-en-1-one CAS Name: (E)-1-(4-bromophenyl)-3-(2,5-dimethylanilino)-2-buten-1-one IUPAC Name: (E)-1-(4-bromophenyl)-3-(2,5-dimethylanilino)but-2-en-1-one Traditional Name: (E)-1-(4-bromophenyl)-3-(2,5-dimethylanilino)but-2-en-1-one Formula: C18H18BrNO MolecularWeight: 344.24562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=CC(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N/C(=C/C(=O)C2=CC=C(C=C2)Br)/C

InChI

InChI=1S/C18H18BrNO/c1-12-4-5-13(2)17(10-12)20-14(3)11-18(21)15-6-8-16(19)9-7-15/h4-11,20H,1-3H3/b14-11+