ethyl 3-(2-azido-1-oxidanyl-1-phenyl-ethyl)-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: ethyl 3-(2-azido-1-oxidanyl-1-phenyl-ethyl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl 3-(2-azido-1-hydroxy-1-phenyl-ethyl)-2-oxo-cyclohexanecarboxylate CAS Name: 3-(2-azido-1-hydroxy-1-phenylethyl)-2-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-azido-1-hydroxy-1-phenylethyl)-2-oxocyclohexane-1-carboxylate Traditional Name: 3-(2-azido-1-hydroxy-1-phenyl-ethyl)-2-keto-cyclohexanecarboxylic acid ethyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC(C1=O)C(CN=[N+]=[N-])(C2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)C1CCCC(C1=O)C(CN=[N+]=[N-])(C2=CC=CC=C2)O

InChI

InChI=1S/C17H21N3O4/c1-2-24-16(22)13-9-6-10-14(15(13)21)17(23,11-19-20-18)12-7-4-3-5-8-12/h3-5,7-8,13-14,23H,2,6,9-11H2,1H3