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

Systemtic Name: 2-[2-(4-nitrophenyl)-1,3-benzoxazol-5-yl]propanoic acid Openeye Name: 2-[2-(4-nitrophenyl)-1,3-benzoxazol-5-yl]propanoic acid CAS Name: 2-[2-(4-nitrophenyl)-1,3-benzoxazol-5-yl]propanoic acid IUPAC Name: 2-[2-(4-nitrophenyl)-1,3-benzoxazol-5-yl]propanoic acid Traditional Name: 2-[2-(4-nitrophenyl)-1,3-benzoxazol-5-yl]propionic acid Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H12N2O5/c1-9(16(19)20)11-4-7-14-13(8-11)17-15(23-14)10-2-5-12(6-3-10)18(21)22/h2-9H,1H3,(H,19,20)