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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O5/c1-11(23-18(26)14-4-2-3-5-15(14)21-22-23)17(25)20-16(19(27)28)10-12-6-8-13(24)9-7-12/h2-9,11,16,24H,10H2,1H3,(H,20,25)(H,27,28)