4-[(pyrazin-2-ylcarbonylamino)methyl]benzoic acid

Systemtic Name: 4-[(pyrazin-2-ylcarbonylamino)methyl]benzoic acid Openeye Name: 4-[(pyrazine-2-carbonylamino)methyl]benzoic acid CAS Name: 4-[[[oxo(2-pyrazinyl)methyl]amino]methyl]benzoic acid IUPAC Name: 4-[(pyrazine-2-carbonylamino)methyl]benzoic acid Traditional Name: 4-[(pyrazinoylamino)methyl]benzoic acid Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=NC=CN=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=NC=CN=C2)C(=O)O

InChI

InChI=1S/C13H11N3O3/c17-12(11-8-14-5-6-15-11)16-7-9-1-3-10(4-2-9)13(18)19/h1-6,8H,7H2,(H,16,17)(H,18,19)