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

Systemtic Name: 2-[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]butanoic acid Openeye Name: 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]butanoic acid CAS Name: 2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropyl]amino]butanoic acid IUPAC Name: 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropanoyl]amino]butanoic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]butyric acid Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H20N4O4/c1-2-15(20(27)28)21-18(25)17(12-13-8-4-3-5-9-13)24-19(26)14-10-6-7-11-16(14)22-23-24/h3-11,15,17H,2,12H2,1H3,(H,21,25)(H,27,28)