2-[1,3-diethoxy-1,3-bis(oxidanylidene)propan-2-yl]-4-nitro-benzoic acid

Systemtic Name: 2-[1,3-diethoxy-1,3-bis(oxidanylidene)propan-2-yl]-4-nitro-benzoic acid Openeye Name: 2-(2-ethoxy-1-ethoxycarbonyl-2-oxo-ethyl)-4-nitro-benzoic acid CAS Name: 2-(1,3-diethoxy-1,3-dioxopropan-2-yl)-4-nitrobenzoic acid IUPAC Name: 2-(1,3-diethoxy-1,3-dioxopropan-2-yl)-4-nitrobenzoic acid Traditional Name: 2-(1-carbethoxy-2-ethoxy-2-keto-ethyl)-4-nitro-benzoic acid Formula: C14H15NO8 MolecularWeight: 325.2708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO8/c1-3-22-13(18)11(14(19)23-4-2)10-7-8(15(20)21)5-6-9(10)12(16)17/h5-7,11H,3-4H2,1-2H3,(H,16,17)