(4E)-4-[[(2-azanyl-5-bromanyl-pyridin-3-yl)amino]methylidene]-2-methoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-[[(2-azanyl-5-bromanyl-pyridin-3-yl)amino]methylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[[(2-amino-5-bromo-3-pyridyl)amino]methylene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[[(2-amino-5-bromo-3-pyridinyl)amino]methylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[[(2-amino-5-bromopyridin-3-yl)amino]methylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[[(2-amino-5-bromo-3-pyridyl)amino]methylene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C13H12BrN3O2 MolecularWeight: 322.15728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNC2=CC(=CN=C2N)Br)C=CC1=O

Isomeric SMILES

COC1=C/C(=C/NC2=CC(=CN=C2N)Br)/C=CC1=O

InChI

InChI=1S/C13H12BrN3O2/c1-19-12-4-8(2-3-11(12)18)6-16-10-5-9(14)7-17-13(10)15/h2-7,16H,1H3,(H2,15,17)/b8-6+