methyl 7,7-dimethyl-5-nitro-bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxylate

Systemtic Name: methyl 7,7-dimethyl-5-nitro-bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxylate Openeye Name: methyl 7,7-dimethyl-5-nitro-bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxylate CAS Name: 7,7-dimethyl-5-nitro-3-bicyclo[4.2.0]octa-1(6),2,4-trienecarboxylic acid methyl ester IUPAC Name: methyl 7,7-dimethyl-5-nitrobicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxylate Traditional Name: 7,7-dimethyl-5-nitro-bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxylic acid methyl ester Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C1C(=CC(=C2)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C1C(=CC(=C2)C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C12H13NO4/c1-12(2)6-8-4-7(11(14)17-3)5-9(10(8)12)13(15)16/h4-5H,6H2,1-3H3