1-[3-(7-bromanylheptoxy)prop-1-ynyl]-3-nitro-benzene

Systemtic Name: 1-[3-(7-bromanylheptoxy)prop-1-ynyl]-3-nitro-benzene Openeye Name: 1-[3-(7-bromoheptoxy)prop-1-ynyl]-3-nitro-benzene CAS Name: 1-[3-(7-bromoheptoxy)prop-1-ynyl]-3-nitrobenzene IUPAC Name: 1-[3-(7-bromoheptoxy)prop-1-ynyl]-3-nitrobenzene Traditional Name: 1-[3-(7-bromoheptoxy)prop-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#CCOCCCCCCCBr

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO3/c17-11-4-2-1-3-5-12-21-13-7-9-15-8-6-10-16(14-15)18(19)20/h6,8,10,14H,1-5,11-13H2