[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 6-chlorochromane-3-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: 6-chlorochroman-3-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H15ClN2O4 MolecularWeight: 322.7436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C15H15ClN2O4/c16-12-2-3-13-10(7-12)6-11(8-21-13)15(20)22-9-14(19)18-5-1-4-17/h2-3,7,11H,1,5-6,8-9H2,(H,18,19)