1-fluoranyl-4-[2-[2-[(2-methylpropan-2-yl)oxy]-5-nitro-cyclohexa-1,5-dien-1-yl]ethynyl]benzene

Systemtic Name: 1-fluoranyl-4-[2-[2-[(2-methylpropan-2-yl)oxy]-5-nitro-cyclohexa-1,5-dien-1-yl]ethynyl]benzene Openeye Name: 1-[2-(2-tert-butoxy-5-nitro-cyclohexa-1,5-dien-1-yl)ethynyl]-4-fluoro-benzene CAS Name: 1-fluoro-4-[2-[2-[(2-methylpropan-2-yl)oxy]-5-nitro-1-cyclohexa-1,5-dienyl]ethynyl]benzene IUPAC Name: 1-fluoro-4-[2-[2-[(2-methylpropan-2-yl)oxy]-5-nitrocyclohexa-1,5-dien-1-yl]ethynyl]benzene Traditional Name: 1-[2-(2-tert-butoxy-5-nitro-cyclohexa-1,5-dien-1-yl)ethynyl]-4-fluoro-benzene Formula: C18H18FNO3 MolecularWeight: 315.338823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=C(C=C(CC1)[N+](=O)[O-])C#CC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)OC1=C(C=C(CC1)[N+](=O)[O-])C#CC2=CC=C(C=C2)F

InChI

InChI=1S/C18H18FNO3/c1-18(2,3)23-17-11-10-16(20(21)22)12-14(17)7-4-13-5-8-15(19)9-6-13/h5-6,8-9,12H,10-11H2,1-3H3