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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]propionic acid Formula: C18H16N4O5 MolecularWeight: 368.34344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O5/c23-12-7-5-11(6-8-12)9-15(18(26)27)19-16(24)10-22-17(25)13-3-1-2-4-14(13)20-21-22/h1-8,15,23H,9-10H2,(H,19,24)(H,26,27)