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

Systemtic Name: 3-(3-methyl-4-nitro-1,2-oxazol-5-yl)-2-phenyl-propanoic acid Openeye Name: 3-(3-methyl-4-nitro-isoxazol-5-yl)-2-phenyl-propanoic acid CAS Name: 3-(3-methyl-4-nitro-5-isoxazolyl)-2-phenylpropanoic acid IUPAC Name: 3-(3-methyl-4-nitro-1,2-oxazol-5-yl)-2-phenylpropanoic acid Traditional Name: 3-(3-methyl-4-nitro-isoxazol-5-yl)-2-phenyl-propionic acid Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1[N+](=O)[O-])CC(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=NOC(=C1[N+](=O)[O-])CC(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H12N2O5/c1-8-12(15(18)19)11(20-14-8)7-10(13(16)17)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,16,17)