3-(2-nitro-1-phenyl-ethyl)cycloheptan-1-one

Systemtic Name: 3-(2-nitro-1-phenyl-ethyl)cycloheptan-1-one Openeye Name: 3-(2-nitro-1-phenyl-ethyl)cycloheptanone CAS Name: 3-(2-nitro-1-phenylethyl)-1-cycloheptanone IUPAC Name: 3-(2-nitro-1-phenylethyl)cycloheptan-1-one Traditional Name: 3-(2-nitro-1-phenyl-ethyl)cycloheptanone Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)CC(C1)C(C[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C1CCC(=O)CC(C1)C(C[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C15H19NO3/c17-14-9-5-4-8-13(10-14)15(11-16(18)19)12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2