[2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxidanylidene-ethyl] 3-oxidanylbenzoate

Systemtic Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxidanylidene-ethyl] 3-oxidanylbenzoate Openeye Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxo-ethyl] 3-hydroxybenzoate CAS Name: 3-hydroxybenzoic acid [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl] 3-hydroxybenzoate Traditional Name: 3-hydroxybenzoic acid [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-keto-ethyl] ester Formula: C20H18N2O6 MolecularWeight: 382.36672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N(CCC#N)C(=O)COC(=O)C3=CC(=CC=C3)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N(CCC#N)C(=O)COC(=O)C3=CC(=CC=C3)O

InChI

InChI=1S/C20H18N2O6/c21-7-2-8-22(15-5-6-17-18(12-15)27-10-9-26-17)19(24)13-28-20(25)14-3-1-4-16(23)11-14/h1,3-6,11-12,23H,2,8-10,13H2