[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(2-bromo-4-methylphenyl)-2-propenoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-(2-bromo-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)acrylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H15BrN2O3 MolecularWeight: 351.1952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)OCC(=O)NCCC#N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)OCC(=O)NCCC#N)Br

InChI

InChI=1S/C15H15BrN2O3/c1-11-3-4-12(13(16)9-11)5-6-15(20)21-10-14(19)18-8-2-7-17/h3-6,9H,2,8,10H2,1H3,(H,18,19)/b6-5+