2-azanyl-3-[5-(1-methyl-1,2,4-triazol-3-yl)-3-oxidanylidene-1,2-oxazol-4-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[5-(1-methyl-1,2,4-triazol-3-yl)-3-oxidanylidene-1,2-oxazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[5-(1-methyl-1,2,4-triazol-3-yl)-3-oxo-isoxazol-4-yl]propanoic acid CAS Name: 2-amino-3-[5-(1-methyl-1,2,4-triazol-3-yl)-3-oxo-4-isoxazolyl]propanoic acid IUPAC Name: 2-amino-3-[5-(1-methyl-1,2,4-triazol-3-yl)-3-oxo-1,2-oxazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[3-keto-5-(1-methyl-1,2,4-triazol-3-yl)-4-isoxazolin-4-yl]propionic acid Formula: C9H11N5O4 MolecularWeight: 253.21474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=N1)C2=C(C(=O)NO2)CC(C(=O)O)N

Isomeric SMILES

CN1C=NC(=N1)C2=C(C(=O)NO2)CC(C(=O)O)N

InChI

InChI=1S/C9H11N5O4/c1-14-3-11-7(12-14)6-4(8(15)13-18-6)2-5(10)9(16)17/h3,5H,2,10H2,1H3,(H,13,15)(H,16,17)