[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H17BrO4 MolecularWeight: 377.22918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)C=CC2=CC=C(O2)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)/C=C/C2=CC=C(O2)Br)C

InChI

InChI=1S/C18H17BrO4/c1-11-4-5-14(10-12(11)2)18(21)13(3)22-17(20)9-7-15-6-8-16(19)23-15/h4-10,13H,1-3H3/b9-7+