3-nitro-4-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]benzoic acid

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]benzoic acid Openeye Name: 4-[2-(isopropylamino)-2-oxo-ethoxy]-3-nitro-benzoic acid CAS Name: 3-nitro-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid IUPAC Name: 3-nitro-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid Traditional Name: 4-[2-(isopropylamino)-2-keto-ethoxy]-3-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)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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