methyl 4-chloranyl-1,3-dinitro-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: methyl 4-chloranyl-1,3-dinitro-cyclohexa-2,4-diene-1-carboxylate Openeye Name: methyl 4-chloro-1,3-dinitro-cyclohexa-2,4-diene-1-carboxylate CAS Name: 4-chloro-1,3-dinitro-1-cyclohexa-2,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 4-chloro-1,3-dinitrocyclohexa-2,4-diene-1-carboxylate Traditional Name: 4-chloro-1,3-dinitro-cyclohexa-2,4-diene-1-carboxylic acid methyl ester Formula: C8H7ClN2O6 MolecularWeight: 262.60398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7ClN2O6/c1-17-7(12)8(11(15)16)3-2-5(9)6(4-8)10(13)14/h2,4H,3H2,1H3