(1S,2S)-2-[[4-(2-oxidanidyl-2-oxidanylidene-ethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[[4-(2-oxidanidyl-2-oxidanylidene-ethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[[4-(2-oxido-2-oxo-ethyl)phenyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[4-(2-oxido-2-oxoethyl)anilino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[[4-(2-oxido-2-oxoethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[[4-(2-keto-2-oxido-ethyl)phenyl]carbamoyl]cyclohexanecarboxylate Formula: C16H17NO5-2 MolecularWeight: 303.30988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H19NO5/c18-14(19)9-10-5-7-11(8-6-10)17-15(20)12-3-1-2-4-13(12)16(21)22/h5-8,12-13H,1-4,9H2,(H,17,20)(H,18,19)(H,21,22)/p-2/t12-,13-/m0/s1