5-[(6-azanylidene-3-phenyl-pyridazin-1-yl)methyl]-1,2-oxazol-3-one hydrobromide

Systemtic Name: 5-[(6-azanylidene-3-phenyl-pyridazin-1-yl)methyl]-1,2-oxazol-3-one hydrobromide Openeye Name: 5-[(6-imino-3-phenyl-pyridazin-1-yl)methyl]isoxazol-3-one hydrobromide CAS Name: 5-[(6-imino-3-phenyl-1-pyridazinyl)methyl]-3-isoxazolone hydrobromide IUPAC Name: 5-[(6-imino-3-phenylpyridazin-1-yl)methyl]-1,2-oxazol-3-one hydrobromide Traditional Name: 5-[(6-imino-3-phenyl-pyridazin-1-yl)methyl]-4-isoxazolin-3-one hydrobromide Formula: C14H13BrN4O2 MolecularWeight: 349.18262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=N)C=C2)CC3=CC(=O)NO3.Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=N)C=C2)CC3=CC(=O)NO3.Br

InChI

InChI=1S/C14H12N4O2.BrH/c15-13-7-6-12(10-4-2-1-3-5-10)16-18(13)9-11-8-14(19)17-20-11;/h1-8,15H,9H2,(H,17,19);1H