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

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-2H-chromene-3-carboxylate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 6-chloro-2H-chromene-3-carboxylate CAS Name: 6-chloro-2H-1-benzopyran-3-carboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate Traditional Name: 6-chloro-2H-chromene-3-carboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H16Cl2N2O4 MolecularWeight: 431.26874

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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)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1C(=CC2=C(O1)C=CC(=C2)Cl)C(=O)OCC(=O)N(CCC#N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H16Cl2N2O4/c22-16-3-1-4-18(11-16)25(8-2-7-24)20(26)13-29-21(27)15-9-14-10-17(23)5-6-19(14)28-12-15/h1,3-6,9-11H,2,8,12-13H2