(6Z)-6-[5-(3-bromanylpyridin-2-yl)-1,2-dihydro-1,2,4-triazol-3-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[5-(3-bromanylpyridin-2-yl)-1,2-dihydro-1,2,4-triazol-3-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[5-(3-bromo-2-pyridyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[5-(3-bromo-2-pyridinyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[5-(3-bromopyridin-2-yl)-1,2-dihydro-1,2,4-triazol-3-ylidene]-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[5-(3-bromo-2-pyridyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C14H11BrN4O2 MolecularWeight: 347.16674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C2NNC(=N2)C3=C(C=CC=N3)Br)C1=O

Isomeric SMILES

COC1=CC=C/C(=C\2/NNC(=N2)C3=C(C=CC=N3)Br)/C1=O

InChI

InChI=1S/C14H11BrN4O2/c1-21-10-6-2-4-8(12(10)20)13-17-14(19-18-13)11-9(15)5-3-7-16-11/h2-7,18H,1H3,(H,17,19)/b13-8-