[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C17H14ClN3O4 MolecularWeight: 359.76376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C=C(O2)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC2=C(C=C1Cl)C=C(O2)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C17H14ClN3O4/c18-13-3-4-14-12(9-13)10-15(25-14)17(23)24-11-16(22)21(7-1-5-19)8-2-6-20/h3-4,9-10H,1-2,7-8,11H2