(E)-4-(3-nitrophenyl)-1-pyridazin-3-yl-but-3-en-2-one

Systemtic Name: (E)-4-(3-nitrophenyl)-1-pyridazin-3-yl-but-3-en-2-one Openeye Name: (E)-4-(3-nitrophenyl)-1-pyridazin-3-yl-but-3-en-2-one CAS Name: (E)-4-(3-nitrophenyl)-1-(3-pyridazinyl)-3-buten-2-one IUPAC Name: (E)-4-(3-nitrophenyl)-1-pyridazin-3-ylbut-3-en-2-one Traditional Name: (E)-4-(3-nitrophenyl)-1-pyridazin-3-yl-but-3-en-2-one Formula: C14H11N3O3 MolecularWeight: 269.25544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O3/c18-14(10-12-4-2-8-15-16-12)7-6-11-3-1-5-13(9-11)17(19)20/h1-9H,10H2/b7-6+