[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C21H19N3O6/c1-13(20(26)24-16-6-7-17-18(12-16)29-11-10-28-17)30-21(27)14-2-4-15(5-3-14)23-19(25)8-9-22/h2-7,12-13H,8,10-11H2,1H3,(H,23,25)(H,24,26)