methyl 5-azido-3-(3-methylbutan-2-yl)-4-oxidanyl-cyclohexene-1-carboxylate

Systemtic Name: methyl 5-azido-3-(3-methylbutan-2-yl)-4-oxidanyl-cyclohexene-1-carboxylate Openeye Name: methyl 5-azido-3-(1,2-dimethylpropyl)-4-hydroxy-cyclohexene-1-carboxylate CAS Name: 5-azido-4-hydroxy-3-(3-methylbutan-2-yl)-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 5-azido-4-hydroxy-3-(3-methylbutan-2-yl)cyclohexene-1-carboxylate Traditional Name: 5-azido-3-(1,2-dimethylpropyl)-4-hydroxy-cyclohexene-1-carboxylic acid methyl ester Formula: C13H21N3O3 MolecularWeight: 267.32414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)C1C=C(CC(C1O)N=[N+]=[N-])C(=O)OC

Isomeric SMILES

CC(C)C(C)C1C=C(CC(C1O)N=[N+]=[N-])C(=O)OC

InChI

InChI=1S/C13H21N3O3/c1-7(2)8(3)10-5-9(13(18)19-4)6-11(12(10)17)15-16-14/h5,7-8,10-12,17H,6H2,1-4H3