(3S)-1-[2,6-bis(chloranyl)-3-methyl-phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2,6-bis(chloranyl)-3-methyl-phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: (3S)-1-(2,6-dichloro-3-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid CAS Name: (3S)-1-(2,6-dichloro-3-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: (3S)-1-(2,6-dichloro-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid Traditional Name: (3S)-1-(2,6-dichloro-3-methyl-phenyl)-5-keto-pyrrolidine-3-carboxylic acid Formula: C12H11Cl2NO3 MolecularWeight: 288.12664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)N2CC(CC2=O)C(=O)O)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)N2C[C@H](CC2=O)C(=O)O)Cl

InChI

InChI=1S/C12H11Cl2NO3/c1-6-2-3-8(13)11(10(6)14)15-5-7(12(17)18)4-9(15)16/h2-3,7H,4-5H2,1H3,(H,17,18)/t7-/m0/s1