4-[[(6-oxidanylidene-1H-pyrazin-3-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(6-oxidanylidene-1H-pyrazin-3-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[oxo-(6-oxo-1H-pyrazin-3-yl)methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(6-keto-1H-pyrazine-3-carbonyl)amino]methyl]benzoic acid Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CNC(=O)C=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CNC(=O)C=N2)C(=O)O

InChI

InChI=1S/C13H11N3O4/c17-11-7-14-10(6-15-11)12(18)16-5-8-1-3-9(4-2-8)13(19)20/h1-4,6-7H,5H2,(H,15,17)(H,16,18)(H,19,20)