(E)-1-(3-bromophenyl)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(3-bromophenyl)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]prop-2-en-1-one Openeye Name: (E)-1-(3-bromophenyl)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]prop-2-en-1-one CAS Name: (E)-1-(3-bromophenyl)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-propen-1-one IUPAC Name: (E)-1-(3-bromophenyl)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]prop-2-en-1-one Traditional Name: (E)-1-(3-bromophenyl)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]prop-2-en-1-one Formula: C25H22BrNO4 MolecularWeight: 480.35048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C=CC(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)/C=C/C(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C25H22BrNO4/c1-25(2,3)19-9-11-21(12-10-19)31-24-14-8-17(15-22(24)27(29)30)7-13-23(28)18-5-4-6-20(26)16-18/h4-16H,1-3H3/b13-7+