[2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-chloranyl-benzoate

Systemtic Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-chloranyl-benzoate Openeye Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxo-ethyl] 2-amino-5-chloro-benzoate CAS Name: 2-amino-5-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] 2-amino-5-chlorobenzoate Traditional Name: 2-amino-5-chloro-benzoic acid [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-keto-ethyl] ester Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O5/c21-13-2-4-16(23)15(10-13)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