4-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-(2-chloro-4,6-dimethyl-anilino)-4-oxo-butanoate CAS Name: 4-(2-chloro-4,6-dimethylanilino)-4-oxobutanoate IUPAC Name: 4-(2-chloro-4,6-dimethylanilino)-4-oxobutanoate Traditional Name: 4-(2-chloro-4,6-dimethyl-anilino)-4-keto-butyrate Formula: C12H13ClNO3- MolecularWeight: 254.68952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CCC(=O)[O-])C

InChI

InChI=1S/C12H14ClNO3/c1-7-5-8(2)12(9(13)6-7)14-10(15)3-4-11(16)17/h5-6H,3-4H2,1-2H3,(H,14,15)(H,16,17)/p-1