[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C16H17BrN2O4 MolecularWeight: 381.22118

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C=CC1=C(C=CC(=C1)Br)OC

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)/C=C/C1=C(C=CC(=C1)Br)OC

InChI

InChI=1S/C16H17BrN2O4/c1-19(9-3-8-18)15(20)11-23-16(21)7-4-12-10-13(17)5-6-14(12)22-2/h4-7,10H,3,9,11H2,1-2H3/b7-4+