2-[4-(4-oxidanylidene-4aH-1,2,3-benzotriazin-3-ium-3-yl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(4-oxidanylidene-4aH-1,2,3-benzotriazin-3-ium-3-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(4-oxo-4aH-1,2,3-benzotriazin-3-ium-3-yl)phenyl]acetic acid CAS Name: 2-[4-(4-oxo-4aH-1,2,3-benzotriazin-3-ium-3-yl)phenyl]acetic acid IUPAC Name: 2-[4-(4-oxo-4aH-1,2,3-benzotriazin-3-ium-3-yl)phenyl]acetic acid Traditional Name: 2-[4-(4-keto-4aH-1,2,3-benzotriazin-3-ium-3-yl)phenyl]acetic acid Formula: C15H12N3O3+ MolecularWeight: 282.27408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=NN=[N+](C2=O)C3=CC=C(C=C3)CC(=O)O)C=C1

Isomeric SMILES

C1=CC2C(=NN=[N+](C2=O)C3=CC=C(C=C3)CC(=O)O)C=C1

InChI

InChI=1S/C15H11N3O3/c19-14(20)9-10-5-7-11(8-6-10)18-15(21)12-3-1-2-4-13(12)16-17-18/h1-8,12H,9H2/p+1