methyl 5,6,6-trimethyl-5-nitro-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: methyl 5,6,6-trimethyl-5-nitro-cyclohexa-1,3-diene-1-carboxylate Openeye Name: methyl 5,6,6-trimethyl-5-nitro-cyclohexa-1,3-diene-1-carboxylate CAS Name: 5,6,6-trimethyl-5-nitro-1-cyclohexa-1,3-dienecarboxylic acid methyl ester IUPAC Name: methyl 5,6,6-trimethyl-5-nitrocyclohexa-1,3-diene-1-carboxylate Traditional Name: 5,6,6-trimethyl-5-nitro-cyclohexa-1,3-diene-1-carboxylic acid methyl ester Formula: C11H15NO4 MolecularWeight: 225.2411

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO4/c1-10(2)8(9(13)16-4)6-5-7-11(10,3)12(14)15/h5-7H,1-4H3