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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C18H13ClN2O5 MolecularWeight: 372.75922

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)Cl

InChI

InChI=1S/C18H13ClN2O5/c19-14-7-11(8-15-17(14)26-10-25-15)9-24-18(23)12-1-3-13(4-2-12)21-16(22)5-6-20/h1-4,7-8H,5,9-10H2,(H,21,22)