(3S)-5-[(3-chloranyl-4-methyl-phenyl)amino]-3-methyl-5-oxidanylidene-pentanoate

Systemtic Name: (3S)-5-[(3-chloranyl-4-methyl-phenyl)amino]-3-methyl-5-oxidanylidene-pentanoate Openeye Name: (3S)-5-(3-chloro-4-methyl-anilino)-3-methyl-5-oxo-pentanoate CAS Name: (3S)-5-(3-chloro-4-methylanilino)-3-methyl-5-oxopentanoate IUPAC Name: (3S)-5-(3-chloro-4-methylanilino)-3-methyl-5-oxopentanoate Traditional Name: (3S)-5-(3-chloro-4-methyl-anilino)-5-keto-3-methyl-valerate Formula: C13H15ClNO3- MolecularWeight: 268.7161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3/c1-8(6-13(17)18)5-12(16)15-10-4-3-9(2)11(14)7-10/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H,17,18)/p-1/t8-/m0/s1