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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2-ethoxyphenyl)-2-propenoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-o-phenetylacrylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CCOC1=CC=CC=C1/C=C/C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C19H21N3O4/c1-2-25-17-8-4-3-7-16(17)9-10-19(24)26-15-18(23)22(13-5-11-20)14-6-12-21/h3-4,7-10H,2,5-6,13-15H2,1H3/b10-9+