[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H19N3O6 MolecularWeight: 337.32786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O6/c1-3-6-17-14(20)10(2)24-15(21)12-9-11(18(22)23)4-5-13(12)16-7-8-19/h3-5,9-10,16,19H,1,6-8H2,2H3,(H,17,20)/t10-/m1/s1