1-[2-(4-methoxyphenyl)-1-nitro-ethyl]cycloheptene

Systemtic Name: 1-[2-(4-methoxyphenyl)-1-nitro-ethyl]cycloheptene Openeye Name: 1-[2-(4-methoxyphenyl)-1-nitro-ethyl]cycloheptene CAS Name: 1-[2-(4-methoxyphenyl)-1-nitroethyl]cycloheptene IUPAC Name: 1-[2-(4-methoxyphenyl)-1-nitroethyl]cycloheptene Traditional Name: 1-[2-(4-methoxyphenyl)-1-nitro-ethyl]cycloheptene Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C2=CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC(C2=CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H21NO3/c1-20-15-10-8-13(9-11-15)12-16(17(18)19)14-6-4-2-3-5-7-14/h6,8-11,16H,2-5,7,12H2,1H3