[(E)-4-(3,5-dinitrophenyl)but-2-enyl] ethanoate

Systemtic Name: [(E)-4-(3,5-dinitrophenyl)but-2-enyl] ethanoate Openeye Name: [(E)-4-(3,5-dinitrophenyl)but-2-enyl] acetate CAS Name: acetic acid [(E)-4-(3,5-dinitrophenyl)but-2-enyl] ester IUPAC Name: [(E)-4-(3,5-dinitrophenyl)but-2-enyl] acetate Traditional Name: acetic acid [(E)-4-(3,5-dinitrophenyl)but-2-enyl] ester Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC=CCC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC/C=C/CC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O6/c1-9(15)20-5-3-2-4-10-6-11(13(16)17)8-12(7-10)14(18)19/h2-3,6-8H,4-5H2,1H3/b3-2+