[(Z)-4-oxidanylidenehex-2-en-3-yl] 3,5-dinitrobenzoate

Systemtic Name: [(Z)-4-oxidanylidenehex-2-en-3-yl] 3,5-dinitrobenzoate Openeye Name: [(1Z)-1-ethylidene-2-oxo-butyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(Z)-4-oxohex-2-en-3-yl] ester IUPAC Name: [(Z)-4-oxohex-2-en-3-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(Z)-1-propionylprop-1-enyl] ester Formula: C13H12N2O7 MolecularWeight: 308.24358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O7/c1-3-11(16)12(4-2)22-13(17)8-5-9(14(18)19)7-10(6-8)15(20)21/h4-7H,3H2,1-2H3/b12-4-