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

Systemtic Name: 2-[[3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoyl]amino]-2-phenyl-ethanoic acid Openeye Name: 2-[[3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]-2-phenyl-acetic acid CAS Name: 2-[[3-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]-2-phenylacetic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-pentanoyl]amino]-2-phenyl-acetic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-3-13(2)18(25-20(27)15-11-7-8-12-16(15)23-24-25)19(26)22-17(21(28)29)14-9-5-4-6-10-14/h4-13,17-18H,3H2,1-2H3,(H,22,26)(H,28,29)