[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C19H15ClN2O5 MolecularWeight: 386.7858

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3)Cl

InChI

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