(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H15ClN2O5 MolecularWeight: 386.7858

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)Cl

InChI

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