(4-ethoxy-4-oxidanylidene-butan-2-yl) 3,5-dinitrobenzoate

Systemtic Name: (4-ethoxy-4-oxidanylidene-butan-2-yl) 3,5-dinitrobenzoate Openeye Name: (3-ethoxy-1-methyl-3-oxo-propyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (4-ethoxy-4-oxobutan-2-yl) ester IUPAC Name: (4-ethoxy-4-oxobutan-2-yl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (3-ethoxy-3-keto-1-methyl-propyl) ester Formula: C13H14N2O8 MolecularWeight: 326.25886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O8/c1-3-22-12(16)4-8(2)23-13(17)9-5-10(14(18)19)7-11(6-9)15(20)21/h5-8H,3-4H2,1-2H3