7-fluoranyl-6-(1-oxidanidyl-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-4-prop-2-ynyl-1,4-benzoxazin-3-one

Systemtic Name: 7-fluoranyl-6-(1-oxidanidyl-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-4-prop-2-ynyl-1,4-benzoxazin-3-one Openeye Name: 7-fluoro-6-(1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-4-prop-2-ynyl-1,4-benzoxazin-3-one CAS Name: 7-fluoro-6-(1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-4-prop-2-ynyl-1,4-benzoxazin-3-one IUPAC Name: 7-fluoro-6-(1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-4-prop-2-ynyl-1,4-benzoxazin-3-one Traditional Name: 7-fluoro-6-(1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-4-propargyl-1,4-benzoxazin-3-one Formula: C17H15FN4O3 MolecularWeight: 342.324403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)COC2=C1C=C(C(=C2)F)N3N=C4CCCCC4=[N+]3[O-]

Isomeric SMILES

C#CCN1C(=O)COC2=C1C=C(C(=C2)F)N3N=C4CCCCC4=[N+]3[O-]

InChI

InChI=1S/C17H15FN4O3/c1-2-7-20-15-9-14(11(18)8-16(15)25-10-17(20)23)21-19-12-5-3-4-6-13(12)22(21)24/h1,8-9H,3-7,10H2