1-chloranyl-4-[1-(3-methyl-1-nitro-butan-2-yl)oxyhex-2-ynyl]benzene

Systemtic Name: 1-chloranyl-4-[1-(3-methyl-1-nitro-butan-2-yl)oxyhex-2-ynyl]benzene Openeye Name: 1-chloro-4-[1-[2-methyl-1-(nitromethyl)propoxy]hex-2-ynyl]benzene CAS Name: 1-chloro-4-[1-(3-methyl-1-nitrobutan-2-yl)oxyhex-2-ynyl]benzene IUPAC Name: 1-chloro-4-[1-(3-methyl-1-nitrobutan-2-yl)oxyhex-2-ynyl]benzene Traditional Name: 1-chloro-4-[1-[2-methyl-1-(nitromethyl)propoxy]hex-2-ynyl]benzene Formula: C17H22ClNO3 MolecularWeight: 323.81448

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(C1=CC=C(C=C1)Cl)OC(C[N+](=O)[O-])C(C)C

Isomeric SMILES

CCCC#CC(C1=CC=C(C=C1)Cl)OC(C[N+](=O)[O-])C(C)C

InChI

InChI=1S/C17H22ClNO3/c1-4-5-6-7-16(14-8-10-15(18)11-9-14)22-17(13(2)3)12-19(20)21/h8-11,13,16-17H,4-5,12H2,1-3H3