4-chloranyl-3-(pyrazin-2-ylcarbonylamino)benzoic acid

Systemtic Name: 4-chloranyl-3-(pyrazin-2-ylcarbonylamino)benzoic acid Openeye Name: 4-chloro-3-(pyrazine-2-carbonylamino)benzoic acid CAS Name: 4-chloro-3-[[oxo(2-pyrazinyl)methyl]amino]benzoic acid IUPAC Name: 4-chloro-3-(pyrazine-2-carbonylamino)benzoic acid Traditional Name: 4-chloro-3-(pyrazinoylamino)benzoic acid Formula: C12H8ClN3O3 MolecularWeight: 277.66322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)C2=NC=CN=C2)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=O)C2=NC=CN=C2)Cl

InChI

InChI=1S/C12H8ClN3O3/c13-8-2-1-7(12(18)19)5-9(8)16-11(17)10-6-14-3-4-15-10/h1-6H,(H,16,17)(H,18,19)