(1R,6S)-6-[(5-chloranyl-2-oxidanyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-[(5-chloranyl-2-oxidanyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[(5-chloro-2-hydroxy-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[(5-chloro-2-hydroxyanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[(5-chloro-2-hydroxy-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C14H14ClNO4 MolecularWeight: 295.71826

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C(C=CC(=C2)Cl)O)C(=O)O

Isomeric SMILES

C1C=CC[C@H]([C@H]1C(=O)NC2=C(C=CC(=C2)Cl)O)C(=O)O

InChI

InChI=1S/C14H14ClNO4/c15-8-5-6-12(17)11(7-8)16-13(18)9-3-1-2-4-10(9)14(19)20/h1-2,5-7,9-10,17H,3-4H2,(H,16,18)(H,19,20)/t9-,10+/m0/s1