4-[1,3-diethoxy-1,3-bis(oxidanylidene)propan-2-yl]-3,5-dinitro-benzoic acid

Systemtic Name: 4-[1,3-diethoxy-1,3-bis(oxidanylidene)propan-2-yl]-3,5-dinitro-benzoic acid Openeye Name: 4-(2-ethoxy-1-ethoxycarbonyl-2-oxo-ethyl)-3,5-dinitro-benzoic acid CAS Name: 4-(1,3-diethoxy-1,3-dioxopropan-2-yl)-3,5-dinitrobenzoic acid IUPAC Name: 4-(1,3-diethoxy-1,3-dioxopropan-2-yl)-3,5-dinitrobenzoic acid Traditional Name: 4-(1-carbethoxy-2-ethoxy-2-keto-ethyl)-3,5-dinitro-benzoic acid Formula: C14H14N2O10 MolecularWeight: 370.26836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O10/c1-3-25-13(19)11(14(20)26-4-2)10-8(15(21)22)5-7(12(17)18)6-9(10)16(23)24/h5-6,11H,3-4H2,1-2H3,(H,17,18)