[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)acrylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C18H14BrNO5 MolecularWeight: 404.21146

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C=CC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrNO5/c19-13-4-1-12(2-5-13)3-8-18(22)23-10-17(21)20-14-6-7-15-16(9-14)25-11-24-15/h1-9H,10-11H2,(H,20,21)/b8-3+