[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-2H-chromene-3-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-2H-chromene-3-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 6-chloro-2H-chromene-3-carboxylate CAS Name: 6-chloro-2H-1-benzopyran-3-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate Traditional Name: 6-chloro-2H-chromene-3-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C18H16ClN3O4 MolecularWeight: 373.79034

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=C(O1)C=CC(=C2)Cl)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1C(=CC2=C(O1)C=CC(=C2)Cl)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C18H16ClN3O4/c19-15-3-4-16-13(10-15)9-14(11-25-16)18(24)26-12-17(23)22(7-1-5-20)8-2-6-21/h3-4,9-10H,1-2,7-8,11-12H2