5-[(4-acetamido-3-chloranyl-phenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(4-acetamido-3-chloranyl-phenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-acetamido-3-chloro-anilino)-5-oxo-pentanoic acid CAS Name: 5-(4-acetamido-3-chloroanilino)-5-oxopentanoic acid IUPAC Name: 5-(4-acetamido-3-chloroanilino)-5-oxopentanoic acid Traditional Name: 5-(4-acetamido-3-chloro-anilino)-5-keto-valeric acid Formula: C13H15ClN2O4 MolecularWeight: 298.7222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)CCCC(=O)O)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)CCCC(=O)O)Cl

InChI

InChI=1S/C13H15ClN2O4/c1-8(17)15-11-6-5-9(7-10(11)14)16-12(18)3-2-4-13(19)20/h5-7H,2-4H2,1H3,(H,15,17)(H,16,18)(H,19,20)