(1S,6S)-6-[[2-(2-chloranylphenoxy)ethanoylamino]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6S)-6-[[2-(2-chloranylphenoxy)ethanoylamino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-6-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-6-[[[2-(2-chlorophenoxy)-1-oxoethyl]hydrazo]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-6-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-6-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C16H17ClN2O5 MolecularWeight: 352.76958

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NNC(=O)COC2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

C1C=CC[C@@H]([C@H]1C(=O)NNC(=O)COC2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C16H17ClN2O5/c17-12-7-3-4-8-13(12)24-9-14(20)18-19-15(21)10-5-1-2-6-11(10)16(22)23/h1-4,7-8,10-11H,5-6,9H2,(H,18,20)(H,19,21)(H,22,23)/t10-,11-/m0/s1