[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-2-propenoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] (E)-3-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C17H16BrN3O3 MolecularWeight: 390.23124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C=CC(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O3/c18-15-5-1-4-14(12-15)6-7-17(23)24-13-16(22)21(10-2-8-19)11-3-9-20/h1,4-7,12H,2-3,10-11,13H2/b7-6+