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

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-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 [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 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-1-methyl-ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5/c1-15-20(29-19-12-7-6-11-18(19)27-15)22(26)28-16(2)21(25)24(14-8-13-23)17-9-4-3-5-10-17/h3-7,9-12,15-16,20H,8,14H2,1-2H3