5-nitro-2-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]benzoic acid

Systemtic Name: 5-nitro-2-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]benzoic acid Openeye Name: 2-[2-(isopropylamino)-2-oxo-ethoxy]-5-nitro-benzoic acid CAS Name: 5-nitro-2-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid IUPAC Name: 5-nitro-2-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid Traditional Name: 2-[2-(isopropylamino)-2-keto-ethoxy]-5-nitro-benzoic acid Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)NC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H14N2O6/c1-7(2)13-11(15)6-20-10-4-3-8(14(18)19)5-9(10)12(16)17/h3-5,7H,6H2,1-2H3,(H,13,15)(H,16,17)