4-nitro-1-[2-(3-phenylprop-1-ynyl)phenyl]pentan-1-one

Systemtic Name: 4-nitro-1-[2-(3-phenylprop-1-ynyl)phenyl]pentan-1-one Openeye Name: 4-nitro-1-[2-(3-phenylprop-1-ynyl)phenyl]pentan-1-one CAS Name: 4-nitro-1-[2-(3-phenylprop-1-ynyl)phenyl]-1-pentanone IUPAC Name: 4-nitro-1-[2-(3-phenylprop-1-ynyl)phenyl]pentan-1-one Traditional Name: 4-nitro-1-[2-(3-phenylprop-1-ynyl)phenyl]pentan-1-one Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)C1=CC=CC=C1C#CCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(CCC(=O)C1=CC=CC=C1C#CCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H19NO3/c1-16(21(23)24)14-15-20(22)19-13-6-5-11-18(19)12-7-10-17-8-3-2-4-9-17/h2-6,8-9,11,13,16H,10,14-15H2,1H3