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

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 6-chlorochromane-3-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: 6-chlorochroman-3-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C20H17ClN2O4/c21-16-6-7-18-14(11-16)10-15(12-26-18)20(25)27-13-19(24)23(9-8-22)17-4-2-1-3-5-17/h1-7,11,15H,9-10,12-13H2