methyl 8-fluoranyl-5-methyl-5-oxidanidyl-4,6-dihydroimidazo[1,5-a][1,4]benzodiazepin-5-ium-3-carboxylate

Systemtic Name: methyl 8-fluoranyl-5-methyl-5-oxidanidyl-4,6-dihydroimidazo[1,5-a][1,4]benzodiazepin-5-ium-3-carboxylate Openeye Name: methyl 8-fluoro-5-methyl-5-oxido-4,6-dihydroimidazo[1,5-a][1,4]benzodiazepin-5-ium-3-carboxylate CAS Name: 8-fluoro-5-methyl-5-oxido-4,6-dihydroimidazo[1,5-a][1,4]benzodiazepin-5-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 8-fluoro-5-methyl-5-oxido-4,6-dihydroimidazo[1,5-a][1,4]benzodiazepin-5-ium-3-carboxylate Traditional Name: 8-fluoro-5-methyl-5-oxido-4,6-dihydroimidazo[1,5-a][1,4]benzodiazepin-5-ium-3-carboxylic acid methyl ester Formula: C14H14FN3O3 MolecularWeight: 291.277663

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2=C(C=CC(=C2)F)N3C=NC(=C3C1)C(=O)OC)[O-]

Isomeric SMILES

C[N+]1(CC2=C(C=CC(=C2)F)N3C=NC(=C3C1)C(=O)OC)[O-]

InChI

InChI=1S/C14H14FN3O3/c1-18(20)6-9-5-10(15)3-4-11(9)17-8-16-13(12(17)7-18)14(19)21-2/h3-5,8H,6-7H2,1-2H3