[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: 2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: 2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5/c1-15-20(28-18-11-6-5-10-17(18)27-15)21(25)26-14-19(24)23(13-7-12-22)16-8-3-2-4-9-16/h2-6,8-11,15,20H,7,13-14H2,1H3