methyl 3-nitro-2-(6-oxidanylidenecyclohexen-1-yl)benzoate

Systemtic Name: methyl 3-nitro-2-(6-oxidanylidenecyclohexen-1-yl)benzoate Openeye Name: methyl 3-nitro-2-(6-oxocyclohexen-1-yl)benzoate CAS Name: 3-nitro-2-(6-oxo-1-cyclohexenyl)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-2-(6-oxocyclohexen-1-yl)benzoate Traditional Name: 2-(6-ketocyclohexen-1-yl)-3-nitro-benzoic acid methyl ester Formula: C14H13NO5 MolecularWeight: 275.25672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C2=CCCCC2=O

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C2=CCCCC2=O

InChI

InChI=1S/C14H13NO5/c1-20-14(17)10-6-4-7-11(15(18)19)13(10)9-5-2-3-8-12(9)16/h4-7H,2-3,8H2,1H3