(2S)-N-(4-acetamidophenyl)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanamide

Systemtic Name: (2S)-N-(4-acetamidophenyl)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanamide Openeye Name: (2S)-N-(4-acetamidophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide CAS Name: (2S)-N-(4-acetamidophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide IUPAC Name: (2S)-N-(4-acetamidophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide Traditional Name: (2S)-N-(4-acetamidophenyl)-2-(4-keto-1,2,3-benzotriazin-3-yl)propionamide Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O3/c1-11(23-18(26)15-5-3-4-6-16(15)21-22-23)17(25)20-14-9-7-13(8-10-14)19-12(2)24/h3-11H,1-2H3,(H,19,24)(H,20,25)/t11-/m0/s1