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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-methylbenzo[g]benzofuran-2-carboxylate CAS Name: 3-methyl-2-benzo[g]benzofurancarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate Traditional Name: 3-methylbenzo[g]benzofuran-2-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C22H19N3O4/c1-15-17-9-8-16-6-2-3-7-18(16)21(17)29-20(15)22(27)28-14-19(26)25(12-4-10-23)13-5-11-24/h2-3,6-9H,4-5,12-14H2,1H3