[(1S)-2-oxidanylidenecyclohexyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C15H18N2O6/c18-8-7-16-12-6-5-10(17(21)22)9-11(12)15(20)23-14-4-2-1-3-13(14)19/h5-6,9,14,16,18H,1-4,7-8H2/t14-/m0/s1