1-[4-(3-nitro-4-octan-2-yloxy-phenyl)phenyl]ethanone

Systemtic Name: 1-[4-(3-nitro-4-octan-2-yloxy-phenyl)phenyl]ethanone Openeye Name: 1-[4-[4-(1-methylheptoxy)-3-nitro-phenyl]phenyl]ethanone CAS Name: 1-[4-(3-nitro-4-octan-2-yloxyphenyl)phenyl]ethanone IUPAC Name: 1-[4-(3-nitro-4-octan-2-yloxyphenyl)phenyl]ethanone Traditional Name: 1-[4-[4-(1-methylheptoxy)-3-nitro-phenyl]phenyl]ethanone Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27NO4/c1-4-5-6-7-8-16(2)27-22-14-13-20(15-21(22)23(25)26)19-11-9-18(10-12-19)17(3)24/h9-16H,4-8H2,1-3H3