(3E)-5-(4-nitrophenyl)-3-(phenylmethylidene)pent-4-yn-2-one

Systemtic Name: (3E)-5-(4-nitrophenyl)-3-(phenylmethylidene)pent-4-yn-2-one Openeye Name: (3E)-3-benzylidene-5-(4-nitrophenyl)pent-4-yn-2-one CAS Name: (3E)-5-(4-nitrophenyl)-3-(phenylmethylene)-4-pentyn-2-one IUPAC Name: (3E)-3-benzylidene-5-(4-nitrophenyl)pent-4-yn-2-one Traditional Name: (3E)-3-benzal-5-(4-nitrophenyl)pent-4-yn-2-one Formula: C18H13NO3 MolecularWeight: 291.30072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1)C#CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)/C(=C/C1=CC=CC=C1)/C#CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H13NO3/c1-14(20)17(13-16-5-3-2-4-6-16)10-7-15-8-11-18(12-9-15)19(21)22/h2-6,8-9,11-13H,1H3/b17-13+