3-(3,3-dimethyl-1-nitro-butan-2-yl)oxybutylbenzene

Systemtic Name: 3-(3,3-dimethyl-1-nitro-butan-2-yl)oxybutylbenzene Openeye Name: 3-[2,2-dimethyl-1-(nitromethyl)propoxy]butylbenzene CAS Name: 3-(3,3-dimethyl-1-nitrobutan-2-yl)oxybutylbenzene IUPAC Name: 3-(3,3-dimethyl-1-nitrobutan-2-yl)oxybutylbenzene Traditional Name: 3-[2,2-dimethyl-1-(nitromethyl)propoxy]butylbenzene Formula: C16H25NO3 MolecularWeight: 279.3746

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)OC(C[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CC(CCC1=CC=CC=C1)OC(C[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C16H25NO3/c1-13(10-11-14-8-6-5-7-9-14)20-15(12-17(18)19)16(2,3)4/h5-9,13,15H,10-12H2,1-4H3