[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)acrylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H13BrN2O3 MolecularWeight: 337.16862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)OCC(=O)NCCC#N)Br

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)OCC(=O)NCCC#N)Br

InChI

InChI=1S/C14H13BrN2O3/c15-12-5-2-11(3-6-12)4-7-14(19)20-10-13(18)17-9-1-8-16/h2-7H,1,9-10H2,(H,17,18)/b7-4+