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

Systemtic Name: 4-[[4,5-bis(chloranyl)-2-methyl-phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(4,5-dichloro-2-methyl-anilino)-4-oxo-butanoic acid CAS Name: 4-(4,5-dichloro-2-methylanilino)-4-oxobutanoic acid IUPAC Name: 4-(4,5-dichloro-2-methylanilino)-4-oxobutanoic acid Traditional Name: 4-(4,5-dichloro-2-methyl-anilino)-4-keto-butyric acid Formula: C11H11Cl2NO3 MolecularWeight: 276.11594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CCC(=O)O)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CCC(=O)O)Cl)Cl

InChI

InChI=1S/C11H11Cl2NO3/c1-6-4-7(12)8(13)5-9(6)14-10(15)2-3-11(16)17/h4-5H,2-3H2,1H3,(H,14,15)(H,16,17)