(2S)-N-(4-bromanyl-2-fluoranyl-phenyl)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanamide

Systemtic Name: (2S)-N-(4-bromanyl-2-fluoranyl-phenyl)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanamide Openeye Name: (2S)-N-(4-bromo-2-fluoro-phenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide CAS Name: (2S)-N-(4-bromo-2-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide IUPAC Name: (2S)-N-(4-bromo-2-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide Traditional Name: (2S)-N-(4-bromo-2-fluoro-phenyl)-2-(4-keto-1,2,3-benzotriazin-3-yl)propionamide Formula: C16H12BrFN4O2 MolecularWeight: 391.194483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)Br)F)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H12BrFN4O2/c1-9(15(23)19-14-7-6-10(17)8-12(14)18)22-16(24)11-4-2-3-5-13(11)20-21-22/h2-9H,1H3,(H,19,23)/t9-/m0/s1