3-[2-[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]benzoic acid CAS Name: 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(3,6-diketo-1H-pyridazin-2-yl)acetyl]amino]benzoic acid Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CN2C(=O)C=CC(=O)N2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CN2C(=O)C=CC(=O)N2)C(=O)O

InChI

InChI=1S/C13H11N3O5/c17-10-4-5-12(19)16(15-10)7-11(18)14-9-3-1-2-8(6-9)13(20)21/h1-6H,7H2,(H,14,18)(H,15,17)(H,20,21)