(2S)-N-(3-bromophenyl)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanamide

Systemtic Name: (2S)-N-(3-bromophenyl)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanamide Openeye Name: (2S)-N-(3-bromophenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide CAS Name: (2S)-N-(3-bromophenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide IUPAC Name: (2S)-N-(3-bromophenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide Traditional Name: (2S)-N-(3-bromophenyl)-2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-butyramide Formula: C18H17BrN4O2 MolecularWeight: 401.25718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN4O2/c1-11(2)16(17(24)20-13-7-5-6-12(19)10-13)23-18(25)14-8-3-4-9-15(14)21-22-23/h3-11,16H,1-2H3,(H,20,24)/t16-/m0/s1