(2-oxidanylidenecyclohexyl) 2-methyl-3-nitro-benzoate

Systemtic Name: (2-oxidanylidenecyclohexyl) 2-methyl-3-nitro-benzoate Openeye Name: (2-oxocyclohexyl) 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid (2-ketocyclohexyl) ester Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2CCCCC2=O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2CCCCC2=O

InChI

InChI=1S/C14H15NO5/c1-9-10(5-4-6-11(9)15(18)19)14(17)20-13-8-3-2-7-12(13)16/h4-6,13H,2-3,7-8H2,1H3