4-nitro-3-phenyl-1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]butan-1-one

Systemtic Name: 4-nitro-3-phenyl-1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]butan-1-one Openeye Name: 4-nitro-3-phenyl-1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]butan-1-one CAS Name: 4-nitro-3-phenyl-1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]-1-butanone IUPAC Name: 4-nitro-3-phenyl-1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]butan-1-one Traditional Name: 4-nitro-3-phenyl-1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]butan-1-one Formula: C28H23NO3 MolecularWeight: 421.48712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C2=CC=CC=C21)C#CC3=CC=CC=C3)C(=O)CC(C[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CC(=C(C2=CC=CC=C21)C#CC3=CC=CC=C3)C(=O)CC(C[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C28H23NO3/c30-28(19-24(20-29(31)32)22-11-5-2-6-12-22)27-18-16-23-13-7-8-14-25(23)26(27)17-15-21-9-3-1-4-10-21/h1-14,24H,16,18-20H2