[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-ethoxy-3-nitro-benzoate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-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] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6/c1-4-8-16-14(18)10(3)23-15(19)11-6-7-13(22-5-2)12(9-11)17(20)21/h4,6-7,9-10H,1,5,8H2,2-3H3,(H,16,18)/t10-/m1/s1