2-ethenyl-3,4-dinitro-benzoate

Systemtic Name: 2-ethenyl-3,4-dinitro-benzoate Openeye Name: 3,4-dinitro-2-vinyl-benzoate CAS Name: 2-ethenyl-3,4-dinitrobenzoate IUPAC Name: 2-ethenyl-3,4-dinitrobenzoate Traditional Name: 3,4-dinitro-2-vinyl-benzoate Formula: C9H5N2O6- MolecularWeight: 237.1458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O6/c1-2-5-6(9(12)13)3-4-7(10(14)15)8(5)11(16)17/h2-4H,1H2,(H,12,13)/p-1