dimethyl (4S,4aR)-2-[(2,6-dimethylphenyl)amino]-4a-methyl-5,6-bis(oxidanylidene)-4H-cyclopenta[b]pyran-3,4-dicarboxylate

Systemtic Name: dimethyl (4S,4aR)-2-[(2,6-dimethylphenyl)amino]-4a-methyl-5,6-bis(oxidanylidene)-4H-cyclopenta[b]pyran-3,4-dicarboxylate Openeye Name: dimethyl (4S,4aR)-2-(2,6-dimethylanilino)-4a-methyl-5,6-dioxo-4H-cyclopenta[b]pyran-3,4-dicarboxylate CAS Name: (4S,4aR)-2-(2,6-dimethylanilino)-4a-methyl-5,6-dioxo-4H-cyclopenta[b]pyran-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4S,4aR)-2-(2,6-dimethylanilino)-4a-methyl-5,6-dioxo-4H-cyclopenta[b]pyran-3,4-dicarboxylate Traditional Name: (4S,4aR)-2-(2,6-dimethylanilino)-5,6-diketo-4a-methyl-4H-cyclopenta[b]pyran-3,4-dicarboxylic acid dimethyl ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC2=C(C(C3(C(=CC(=O)C3=O)O2)C)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=C([C@H]([C@@]3(C(=CC(=O)C3=O)O2)C)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H21NO7/c1-10-7-6-8-11(2)16(10)22-18-14(19(25)27-4)15(20(26)28-5)21(3)13(29-18)9-12(23)17(21)24/h6-9,15,22H,1-5H3/t15-,21-/m0/s1