(1S,6R)-6-[[(4-chlorophenyl)carbonylamino]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[[(4-chlorophenyl)carbonylamino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[[(4-chlorobenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[[(4-chlorophenyl)-oxomethyl]hydrazo]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[[(4-chlorobenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[[(4-chlorobenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C15H15ClN2O4 MolecularWeight: 322.7436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O4/c16-10-7-5-9(6-8-10)13(19)17-18-14(20)11-3-1-2-4-12(11)15(21)22/h1-2,5-8,11-12H,3-4H2,(H,17,19)(H,18,20)(H,21,22)/t11-,12+/m1/s1