(2-azido-4-oxidanyl-6-oxidanylidene-cyclohexyl) benzoate

Systemtic Name: (2-azido-4-oxidanyl-6-oxidanylidene-cyclohexyl) benzoate Openeye Name: (2-azido-4-hydroxy-6-oxo-cyclohexyl) benzoate CAS Name: benzoic acid (2-azido-4-hydroxy-6-oxocyclohexyl) ester IUPAC Name: (2-azido-4-hydroxy-6-oxocyclohexyl) benzoate Traditional Name: benzoic acid (2-azido-4-hydroxy-6-keto-cyclohexyl) ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(C1N=[N+]=[N-])OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

C1C(CC(=O)C(C1N=[N+]=[N-])OC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C13H13N3O4/c14-16-15-10-6-9(17)7-11(18)12(10)20-13(19)8-4-2-1-3-5-8/h1-5,9-10,12,17H,6-7H2