methyl 2-(2-ethoxy-2-oxidanylidene-ethoxy)-3,5-dinitro-benzoate

Systemtic Name: methyl 2-(2-ethoxy-2-oxidanylidene-ethoxy)-3,5-dinitro-benzoate Openeye Name: methyl 2-(2-ethoxy-2-oxo-ethoxy)-3,5-dinitro-benzoate CAS Name: 2-(2-ethoxy-2-oxoethoxy)-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 2-(2-ethoxy-2-oxoethoxy)-3,5-dinitrobenzoate Traditional Name: 2-(2-ethoxy-2-keto-ethoxy)-3,5-dinitro-benzoic acid methyl ester Formula: C12H12N2O9 MolecularWeight: 328.23168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O9/c1-3-22-10(15)6-23-11-8(12(16)21-2)4-7(13(17)18)5-9(11)14(19)20/h4-5H,3,6H2,1-2H3