[(1R)-1-cyanoethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [(1R)-1-cyanoethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5/c1-8(7-13)20-12(17)10-6-9(15(18)19)2-3-11(10)14-4-5-16/h2-3,6,8,14,16H,4-5H2,1H3/t8-/m1/s1