5,6-dicarboxy-6-ethyl-3-nitro-N-pyrazin-2-yl-cyclohexa-2,4-diene-1-carbonitrilium

Systemtic Name: 5,6-dicarboxy-6-ethyl-3-nitro-N-pyrazin-2-yl-cyclohexa-2,4-diene-1-carbonitrilium Openeye Name: 5,6-dicarboxy-6-ethyl-3-nitro-N-pyrazin-2-yl-cyclohexa-2,4-diene-1-carbonitrilium CAS Name: 5,6-dicarboxy-6-ethyl-3-nitro-N-(2-pyrazinyl)-1-cyclohexa-2,4-dienecarbonitrilium IUPAC Name: 5,6-dicarboxy-6-ethyl-3-nitro-N-pyrazin-2-ylcyclohexa-2,4-diene-1-carbonitrilium Traditional Name: 5,6-dicarboxy-6-ethyl-3-nitro-N-pyrazin-2-yl-cyclohexa-2,4-diene-1-carbonitrilium Formula: C15H13N4O6+ MolecularWeight: 345.28692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C=C(C=C1C(=O)O)[N+](=O)[O-])C#[N+]C2=NC=CN=C2)C(=O)O

Isomeric SMILES

CCC1(C(C=C(C=C1C(=O)O)[N+](=O)[O-])C#[N+]C2=NC=CN=C2)C(=O)O

InChI

InChI=1S/C15H12N4O6/c1-2-15(14(22)23)9(7-18-12-8-16-3-4-17-12)5-10(19(24)25)6-11(15)13(20)21/h3-6,8-9H,2H2,1H3,(H-,20,21,22,23)/p+1