1-[4-(6-bromanylhexoxy)but-1-ynyl]-3-nitro-benzene

Systemtic Name: 1-[4-(6-bromanylhexoxy)but-1-ynyl]-3-nitro-benzene Openeye Name: 1-[4-(6-bromohexoxy)but-1-ynyl]-3-nitro-benzene CAS Name: 1-[4-(6-bromohexoxy)but-1-ynyl]-3-nitrobenzene IUPAC Name: 1-[4-(6-bromohexoxy)but-1-ynyl]-3-nitrobenzene Traditional Name: 1-[4-(6-bromohexoxy)but-1-ynyl]-3-nitro-benzene Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C#CCCOCCCCCCBr

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C#CCCOCCCCCCBr

InChI

InChI=1S/C16H20BrNO3/c17-11-4-1-2-5-12-21-13-6-3-8-15-9-7-10-16(14-15)18(19)20/h7,9-10,14H,1-2,4-6,11-13H2