3-(4-hydroxyphenyl)-2-[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[1-oxo-4-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[4-(4-keto-1,2,3-benzotriazin-3-yl)butanoylamino]propionic acid Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CCCC(=O)NC(CC3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CCCC(=O)NC(CC3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C20H20N4O5/c25-14-9-7-13(8-10-14)12-17(20(28)29)21-18(26)6-3-11-24-19(27)15-4-1-2-5-16(15)22-23-24/h1-2,4-5,7-10,17,25H,3,6,11-12H2,(H,21,26)(H,28,29)