4-acetamido-3-(2-azanylimidazol-1-yl)benzoic acid

Systemtic Name: 4-acetamido-3-(2-azanylimidazol-1-yl)benzoic acid Openeye Name: 4-acetamido-3-(2-aminoimidazol-1-yl)benzoic acid CAS Name: 4-acetamido-3-(2-amino-1-imidazolyl)benzoic acid IUPAC Name: 4-acetamido-3-(2-aminoimidazol-1-yl)benzoic acid Traditional Name: 4-acetamido-3-(2-aminoimidazol-1-yl)benzoic acid Formula: C12H12N4O3 MolecularWeight: 260.24868

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)O)N2C=CN=C2N

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)O)N2C=CN=C2N

InChI

InChI=1S/C12H12N4O3/c1-7(17)15-9-3-2-8(11(18)19)6-10(9)16-5-4-14-12(16)13/h2-6H,1H3,(H2,13,14)(H,15,17)(H,18,19)