7-[(2E)-2-[(3-bromanylpyridin-4-yl)methylidene]hydrazinyl]-7-oxidanylidene-heptanoic acid

Systemtic Name: 7-[(2E)-2-[(3-bromanylpyridin-4-yl)methylidene]hydrazinyl]-7-oxidanylidene-heptanoic acid Openeye Name: 7-[(2E)-2-[(3-bromo-4-pyridyl)methylene]hydrazino]-7-oxo-heptanoic acid CAS Name: 7-[(2E)-2-[(3-bromo-4-pyridinyl)methylidene]hydrazinyl]-7-oxoheptanoic acid IUPAC Name: 7-[(2E)-2-[(3-bromopyridin-4-yl)methylidene]hydrazinyl]-7-oxoheptanoic acid Traditional Name: 7-[(N'E)-N'-[(3-bromo-4-pyridyl)methylene]hydrazino]-7-keto-enanthic acid Formula: C13H16BrN3O3 MolecularWeight: 342.18844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC(=C1C=NNC(=O)CCCCCC(=O)O)Br

Isomeric SMILES

C1=CN=CC(=C1/C=N/NC(=O)CCCCCC(=O)O)Br

InChI

InChI=1S/C13H16BrN3O3/c14-11-9-15-7-6-10(11)8-16-17-12(18)4-2-1-3-5-13(19)20/h6-9H,1-5H2,(H,17,18)(H,19,20)/b16-8+