[(2R)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [(2R)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [(1R)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [(2R)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [(1R)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C12H13ClN2O5 MolecularWeight: 300.69502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O5/c1-3-14-11(16)7(2)20-12(17)8-4-5-9(13)10(6-8)15(18)19/h4-7H,3H2,1-2H3,(H,14,16)/t7-/m1/s1