methyl 6-azanyl-3,3,5-trinitro-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: methyl 6-azanyl-3,3,5-trinitro-cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl 6-amino-3,3,5-trinitro-cyclohexa-1,4-diene-1-carboxylate CAS Name: 6-amino-3,3,5-trinitro-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 6-amino-3,3,5-trinitrocyclohexa-1,4-diene-1-carboxylate Traditional Name: 6-amino-3,3,5-trinitro-cyclohexa-1,4-diene-1-carboxylic acid methyl ester Formula: C8H8N4O8 MolecularWeight: 288.17112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(C=C(C1N)[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(C=C(C1N)[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H8N4O8/c1-20-7(13)4-2-8(11(16)17,12(18)19)3-5(6(4)9)10(14)15/h2-3,6H,9H2,1H3