2-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]oxy-5-nitro-benzoic acid

Systemtic Name: 2-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]oxy-5-nitro-benzoic acid Openeye Name: 2-[2-(dimethylamino)-1-methyl-2-oxo-ethoxy]-5-nitro-benzoic acid CAS Name: 2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-5-nitrobenzoic acid IUPAC Name: 2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-5-nitrobenzoic acid Traditional Name: 2-[2-(dimethylamino)-2-keto-1-methyl-ethoxy]-5-nitro-benzoic acid Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C)OC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C(=O)N(C)C)OC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H14N2O6/c1-7(11(15)13(2)3)20-10-5-4-8(14(18)19)6-9(10)12(16)17/h4-7H,1-3H3,(H,16,17)