[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 6-chloranyl-2H-chromene-3-carboxylate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 6-chloranyl-2H-chromene-3-carboxylate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 6-chloro-2H-chromene-3-carboxylate CAS Name: 6-chloro-2H-1-benzopyran-3-carboxylic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate Traditional Name: 6-chloro-2H-chromene-3-carboxylic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H21ClN2O4 MolecularWeight: 376.83404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=CC2=C(C=CC(=C2)Cl)OC1

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=CC2=C(C=CC(=C2)Cl)OC1

InChI

InChI=1S/C19H21ClN2O4/c1-11(2)19(4,10-21)22-17(23)12(3)26-18(24)14-7-13-8-15(20)5-6-16(13)25-9-14/h5-8,11-12H,9H2,1-4H3,(H,22,23)