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

Systemtic Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic 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-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-keto-ethyl] ester Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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(=C(C=C3)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O5/c21-15-4-2-13(10-16(15)23)20(26)29-12-19(25)24(7-1-6-22)14-3-5-17-18(11-14)28-9-8-27-17/h2-5,10-11H,1,7-9,12,23H2