2-acetyloxybenzoic acid; 2-azanyl-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-acetyloxybenzoic acid; 2-azanyl-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-acetoxybenzoic acid; 2-amino-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-acetyloxybenzoic acid; 2-amino-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-acetyloxybenzoic acid; 2-amino-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-acetoxybenzoic acid; 2-amino-3-(1H-imidazol-5-yl)propionic acid Formula: C15H17N3O6 MolecularWeight: 335.31198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)O.C1=C(NC=N1)CC(C(=O)O)N

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)O.C1=C(NC=N1)CC(C(=O)O)N

InChI

InChI=1S/C9H8O4.C6H9N3O2/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-5(6(10)11)1-4-2-8-3-9-4/h2-5H,1H3,(H,11,12);2-3,5H,1,7H2,(H,8,9)(H,10,11)