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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CN=C(O2)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CN=C(O2)CCC(=O)O)[N+](=O)[O-]

InChI

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