(1R,6R)-6-[[4-(2-oxidanidyl-2-oxidanylidene-ethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-6-[[4-(2-oxidanidyl-2-oxidanylidene-ethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[[4-(2-oxido-2-oxo-ethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[[4-(2-oxido-2-oxoethyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[[4-(2-oxido-2-oxoethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-[[4-(2-keto-2-oxido-ethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C16H15NO5-2 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC=C(C=C2)CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO5/c18-14(19)9-10-5-7-11(8-6-10)17-15(20)12-3-1-2-4-13(12)16(21)22/h1-2,5-8,12-13H,3-4,9H2,(H,17,20)(H,18,19)(H,21,22)/p-2/t12-,13-/m1/s1