O4-[2-(4-ethoxy-4-oxidanylidene-butanoyl)oxy-3,5-dinitro-phenyl] O1-ethyl butanedioate

Systemtic Name: O4-[2-(4-ethoxy-4-oxidanylidene-butanoyl)oxy-3,5-dinitro-phenyl] O1-ethyl butanedioate Openeye Name: O4-[2-(4-ethoxy-4-oxo-butanoyl)oxy-3,5-dinitro-phenyl] O1-ethyl butanedioate CAS Name: butanedioic acid O4-[2-(4-ethoxy-1,4-dioxobutoxy)-3,5-dinitrophenyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-(4-ethoxy-4-oxobutanoyl)oxy-3,5-dinitrophenyl] 1-O-ethyl butanedioate Traditional Name: succinic acid O4-[2-(4-ethoxy-4-keto-butanoyl)oxy-3,5-dinitro-phenyl] ester O1-ethyl ester Formula: C18H20N2O12 MolecularWeight: 456.3576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)OC1=CC(=CC(=C1OC(=O)CCC(=O)OCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCC(=O)OC1=CC(=CC(=C1OC(=O)CCC(=O)OCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O12/c1-3-29-14(21)5-7-16(23)31-13-10-11(19(25)26)9-12(20(27)28)18(13)32-17(24)8-6-15(22)30-4-2/h9-10H,3-8H2,1-2H3