[2-(3-bromophenyl)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C18H13BrO5 MolecularWeight: 389.19682

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)OCC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)OCC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H13BrO5/c19-14-3-1-2-13(9-14)15(20)10-22-18(21)7-5-12-4-6-16-17(8-12)24-11-23-16/h1-9H,10-11H2/b7-5+