[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C13H17N3O6 MolecularWeight: 311.29058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O6/c1-8(12(14)17)22-13(18)10-7-9(16(19)20)3-4-11(10)15-5-6-21-2/h3-4,7-8,15H,5-6H2,1-2H3,(H2,14,17)/t8-/m1/s1