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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[1-oxo-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[3-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]propionic acid Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O5/c24-13-7-5-12(6-8-13)11-16(19(27)28)20-17(25)9-10-23-18(26)14-3-1-2-4-15(14)21-22-23/h1-8,16,24H,9-11H2,(H,20,25)(H,27,28)