6-[(4-acetamido-3-chloranyl-phenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(4-acetamido-3-chloranyl-phenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(4-acetamido-3-chloro-anilino)-6-oxo-hexanoic acid CAS Name: 6-(4-acetamido-3-chloroanilino)-6-oxohexanoic acid IUPAC Name: 6-(4-acetamido-3-chloroanilino)-6-oxohexanoic acid Traditional Name: 6-(4-acetamido-3-chloro-anilino)-6-keto-hexanoic acid Formula: C14H17ClN2O4 MolecularWeight: 312.74878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O4/c1-9(18)16-12-7-6-10(8-11(12)15)17-13(19)4-2-3-5-14(20)21/h6-8H,2-5H2,1H3,(H,16,18)(H,17,19)(H,20,21)