2-acetamido-3-(4-chloranyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl)propanoic acid

Systemtic Name: 2-acetamido-3-(4-chloranyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl)propanoic acid Openeye Name: 2-acetamido-3-(4-chloro-4-hydroxy-cyclohexa-2,5-dien-1-yl)propanoic acid CAS Name: 2-acetamido-3-(4-chloro-4-hydroxy-1-cyclohexa-2,5-dienyl)propanoic acid IUPAC Name: 2-acetamido-3-(4-chloro-4-hydroxycyclohexa-2,5-dien-1-yl)propanoic acid Traditional Name: 2-acetamido-3-(4-chloro-4-hydroxy-cyclohexa-2,5-dien-1-yl)propionic acid Formula: C11H14ClNO4 MolecularWeight: 259.68616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1C=CC(C=C1)(O)Cl)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1C=CC(C=C1)(O)Cl)C(=O)O

InChI

InChI=1S/C11H14ClNO4/c1-7(14)13-9(10(15)16)6-8-2-4-11(12,17)5-3-8/h2-5,8-9,17H,6H2,1H3,(H,13,14)(H,15,16)