5-[[3,5-bis(chloranyl)-4-methyl-2-oxidanyl-phenyl]amino]-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3,5-bis(chloranyl)-4-methyl-2-oxidanyl-phenyl]amino]-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(3,5-dichloro-2-hydroxy-4-methyl-anilino)-3-methyl-5-oxo-pentanoic acid CAS Name: 5-(3,5-dichloro-2-hydroxy-4-methylanilino)-3-methyl-5-oxopentanoic acid IUPAC Name: 5-(3,5-dichloro-2-hydroxy-4-methylanilino)-3-methyl-5-oxopentanoic acid Traditional Name: 5-(3,5-dichloro-2-hydroxy-4-methyl-anilino)-5-keto-3-methyl-valeric acid Formula: C13H15Cl2NO4 MolecularWeight: 320.1685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1Cl)O)NC(=O)CC(C)CC(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C(=C1Cl)O)NC(=O)CC(C)CC(=O)O)Cl

InChI

InChI=1S/C13H15Cl2NO4/c1-6(4-11(18)19)3-10(17)16-9-5-8(14)7(2)12(15)13(9)20/h5-6,20H,3-4H2,1-2H3,(H,16,17)(H,18,19)