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

Systemtic Name: 2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]butanedioic acid Openeye Name: 2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]butanedioic acid CAS Name: 2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]butanedioic acid IUPAC Name: 2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]butanedioic acid Traditional Name: 2-[2-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]succinic acid Formula: C14H14N4O6 MolecularWeight: 334.28416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)O)C(=O)O)N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C(=O)NC(CC(=O)O)C(=O)O)N1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C14H14N4O6/c1-7(12(21)15-10(14(23)24)6-11(19)20)18-13(22)8-4-2-3-5-9(8)16-17-18/h2-5,7,10H,6H2,1H3,(H,15,21)(H,19,20)(H,23,24)