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

Systemtic Name: 4-(3-methyl-4-nitro-1,2-oxazol-5-yl)-3-phenyl-butanoic acid Openeye Name: 4-(3-methyl-4-nitro-isoxazol-5-yl)-3-phenyl-butanoic acid CAS Name: 4-(3-methyl-4-nitro-5-isoxazolyl)-3-phenylbutanoic acid IUPAC Name: 4-(3-methyl-4-nitro-1,2-oxazol-5-yl)-3-phenylbutanoic acid Traditional Name: 4-(3-methyl-4-nitro-isoxazol-5-yl)-3-phenyl-butyric acid Formula: C14H14N2O5 MolecularWeight: 290.27136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O5/c1-9-14(16(19)20)12(21-15-9)7-11(8-13(17)18)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,17,18)