[(E)-3-ethoxy-2-methyl-3-oxidanylidene-prop-1-enyl] 3,5-dinitrobenzoate

Systemtic Name: [(E)-3-ethoxy-2-methyl-3-oxidanylidene-prop-1-enyl] 3,5-dinitrobenzoate Openeye Name: [(E)-3-ethoxy-2-methyl-3-oxo-prop-1-enyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl] ester IUPAC Name: [(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(E)-3-ethoxy-3-keto-2-methyl-prop-1-enyl] ester Formula: C13H12N2O8 MolecularWeight: 324.24298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O8/c1-3-22-12(16)8(2)7-23-13(17)9-4-10(14(18)19)6-11(5-9)15(20)21/h4-7H,3H2,1-2H3/b8-7+