zinc; 4-azanyl-2-(2-fluorophenyl)-5-oxidanylidene-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 3,3-dimethylbutan-2-ol

Systemtic Name: zinc; 4-azanyl-2-(2-fluorophenyl)-5-oxidanylidene-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 3,3-dimethylbutan-2-ol Openeye Name: zinc; 4-amino-2-(2-fluorophenyl)-5-oxo-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 3,3-dimethylbutan-2-ol CAS Name: zinc; 4-amino-2-(2-fluorophenyl)-5-oxo-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 3,3-dimethyl-2-butanol IUPAC Name: zinc; 4-amino-2-(2-fluorophenyl)-5-oxo-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 3,3-dimethylbutan-2-ol Traditional Name: zinc; 4-amino-2-(2-fluorophenyl)-5-keto-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 3,3-dimethylbutan-2-ol Formula: C21H26FN3O3Zn+2 MolecularWeight: 452.856843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C([CH2-])O.C1=CC=C(C(=C1)C2C(=O)C([N+](=O)C3=CC=CC=C3N2)N)F.[Zn+2]

Isomeric SMILES

CC(C)(C)C([CH2-])O.C1=CC=C(C(=C1)C2C(=O)C([N+](=O)C3=CC=CC=C3N2)N)F.[Zn+2]

InChI

InChI=1S/C15H13FN3O2.C6H13O.Zn/c16-10-6-2-1-5-9(10)13-14(20)15(17)19(21)12-8-4-3-7-11(12)18-13;1-5(7)6(2,3)4;/h1-8,13,15,18H,17H2;5,7H,1H2,2-4H3;/q+1;-1;+2