(9-oxidanylidene-4-bicyclo[3.3.1]nonanyl) 4-nitrobenzoate

Systemtic Name: (9-oxidanylidene-4-bicyclo[3.3.1]nonanyl) 4-nitrobenzoate Openeye Name: (9-oxo-4-bicyclo[3.3.1]nonanyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (9-oxo-4-bicyclo[3.3.1]nonanyl) ester IUPAC Name: (9-oxo-4-bicyclo[3.3.1]nonanyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (9-keto-4-bicyclo[3.3.1]nonanyl) ester Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC(C(C1)C2=O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC2CCC(C(C1)C2=O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17NO5/c18-15-10-2-1-3-13(15)14(9-6-10)22-16(19)11-4-7-12(8-5-11)17(20)21/h4-5,7-8,10,13-14H,1-3,6,9H2