[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate Traditional Name: 4-keto-6-methyl-chromene-2-carboxylic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OC(C)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@H](C)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H16N2O5/c1-12-6-7-18-16(8-12)17(24)10-19(28-18)21(26)27-13(2)20(25)23-15-5-3-4-14(9-15)11-22/h3-10,13H,1-2H3,(H,23,25)/t13-/m1/s1