(3-oxidanylidenecyclohexen-1-yl) 4-nitrobenzoate

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 4-nitrobenzoate Openeye Name: (3-oxocyclohexen-1-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3-ketocyclohexen-1-yl) ester Formula: C13H11NO5 MolecularWeight: 261.23014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=O)C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC(=CC(=O)C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11NO5/c15-11-2-1-3-12(8-11)19-13(16)9-4-6-10(7-5-9)14(17)18/h4-8H,1-3H2