5-azido-3-propoxy-4-[2,2,2-tris(fluoranyl)ethanoylamino]cyclohexene-1-carboxylic acid

Systemtic Name: 5-azido-3-propoxy-4-[2,2,2-tris(fluoranyl)ethanoylamino]cyclohexene-1-carboxylic acid Openeye Name: 5-azido-3-propoxy-4-[(2,2,2-trifluoroacetyl)amino]cyclohexene-1-carboxylic acid CAS Name: 5-azido-3-propoxy-4-[(2,2,2-trifluoro-1-oxoethyl)amino]-1-cyclohexenecarboxylic acid IUPAC Name: 5-azido-3-propoxy-4-[(2,2,2-trifluoroacetyl)amino]cyclohexene-1-carboxylic acid Traditional Name: 5-azido-3-propoxy-4-[(2,2,2-trifluoroacetyl)amino]cyclohexene-1-carboxylic acid Formula: C12H15F3N4O4 MolecularWeight: 336.26711

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1C=C(CC(C1NC(=O)C(F)(F)F)N=[N+]=[N-])C(=O)O

Isomeric SMILES

CCCOC1C=C(CC(C1NC(=O)C(F)(F)F)N=[N+]=[N-])C(=O)O

InChI

InChI=1S/C12H15F3N4O4/c1-2-3-23-8-5-6(10(20)21)4-7(18-19-16)9(8)17-11(22)12(13,14)15/h5,7-9H,2-4H2,1H3,(H,17,22)(H,20,21)