(5-oxidanylidenecyclooctyl) 3-methyl-5-nitro-benzoate

Systemtic Name: (5-oxidanylidenecyclooctyl) 3-methyl-5-nitro-benzoate Openeye Name: (5-oxocyclooctyl) 3-methyl-5-nitro-benzoate CAS Name: 3-methyl-5-nitrobenzoic acid (5-oxocyclooctyl) ester IUPAC Name: (5-oxocyclooctyl) 3-methyl-5-nitrobenzoate Traditional Name: 3-methyl-5-nitro-benzoic acid (5-ketocyclooctyl) ester Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OC2CCCC(=O)CCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OC2CCCC(=O)CCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H19NO5/c1-11-8-12(10-13(9-11)17(20)21)16(19)22-15-6-2-4-14(18)5-3-7-15/h8-10,15H,2-7H2,1H3