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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=N1)CCC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC(=N1)CCC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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