3-(3-chloranyl-4-nitro-1,2-oxazol-5-yl)propanoic acid

Systemtic Name: 3-(3-chloranyl-4-nitro-1,2-oxazol-5-yl)propanoic acid Openeye Name: 3-(3-chloro-4-nitro-isoxazol-5-yl)propanoic acid CAS Name: 3-(3-chloro-4-nitro-5-isoxazolyl)propanoic acid IUPAC Name: 3-(3-chloro-4-nitro-1,2-oxazol-5-yl)propanoic acid Traditional Name: 3-(3-chloro-4-nitro-isoxazol-5-yl)propionic acid Formula: C6H5ClN2O5 MolecularWeight: 220.5673

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)C1=C(C(=NO1)Cl)[N+](=O)[O-]

Isomeric SMILES

C(CC(=O)O)C1=C(C(=NO1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C6H5ClN2O5/c7-6-5(9(12)13)3(14-8-6)1-2-4(10)11/h1-2H2,(H,10,11)