3-methyl-2-[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-2-phenyl-ethanoyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-2-phenyl-ethanoyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenyl-acetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenylethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenylacetyl]amino]butanoic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-2-phenyl-acetyl]amino]-3-methyl-butyric acid Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4/c1-12(2)16(20(27)28)21-18(25)17(13-8-4-3-5-9-13)24-19(26)14-10-6-7-11-15(14)22-23-24/h3-12,16-17H,1-2H3,(H,21,25)(H,27,28)