5-(2-hydroxyethyl)-3,5-dinitro-6-prop-2-enoyl-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: 5-(2-hydroxyethyl)-3,5-dinitro-6-prop-2-enoyl-cyclohexa-1,3-diene-1-carboxylate Openeye Name: 5-(2-hydroxyethyl)-3,5-dinitro-6-prop-2-enoyl-cyclohexa-1,3-diene-1-carboxylate CAS Name: 5-(2-hydroxyethyl)-3,5-dinitro-6-(1-oxoprop-2-enyl)-1-cyclohexa-1,3-dienecarboxylate IUPAC Name: 5-(2-hydroxyethyl)-3,5-dinitro-6-prop-2-enoylcyclohexa-1,3-diene-1-carboxylate Traditional Name: 6-acryloyl-5-(2-hydroxyethyl)-3,5-dinitro-cyclohexa-1,3-diene-1-carboxylate Formula: C12H11N2O8- MolecularWeight: 311.22434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)C1C(=CC(=CC1(CCO)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C=CC(=O)C1C(=CC(=CC1(CCO)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H12N2O8/c1-2-9(16)10-8(11(17)18)5-7(13(19)20)6-12(10,3-4-15)14(21)22/h2,5-6,10,15H,1,3-4H2,(H,17,18)/p-1