[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C18H17N3O4/c1-13-14-6-2-3-7-15(14)25-17(13)18(23)24-12-16(22)21(10-4-8-19)11-5-9-20/h2-3,6-7H,4-5,10-12H2,1H3