(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H15ClN2O5 MolecularWeight: 386.7858

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C19H15ClN2O5/c20-15-9-12(10-16-18(15)26-8-7-25-16)11-27-19(24)13-1-3-14(4-2-13)22-17(23)5-6-21/h1-4,9-10H,5,7-8,11H2,(H,22,23)