4-oxidanylidene-3-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]phthalazine-1-carboxylic acid Formula: C17H11N5O4 MolecularWeight: 349.30034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CN3C(=O)C4=CC=CC=C4N=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CN3C(=O)C4=CC=CC=C4N=N3)C(=O)O

InChI

InChI=1S/C17H11N5O4/c23-15-11-6-2-1-5-10(11)14(17(25)26)19-21(15)9-22-16(24)12-7-3-4-8-13(12)18-20-22/h1-8H,9H2,(H,25,26)