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

Systemtic Name: 2-[2-(4-chloranyl-3-nitro-phenyl)-1,3-benzoxazol-5-yl]propanoic acid Openeye Name: 2-[2-(4-chloro-3-nitro-phenyl)-1,3-benzoxazol-5-yl]propanoic acid CAS Name: 2-[2-(4-chloro-3-nitrophenyl)-1,3-benzoxazol-5-yl]propanoic acid IUPAC Name: 2-[2-(4-chloro-3-nitrophenyl)-1,3-benzoxazol-5-yl]propanoic acid Traditional Name: 2-[2-(4-chloro-3-nitro-phenyl)-1,3-benzoxazol-5-yl]propionic acid Formula: C16H11ClN2O5 MolecularWeight: 346.72194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O5/c1-8(16(20)21)9-3-5-14-12(6-9)18-15(24-14)10-2-4-11(17)13(7-10)19(22)23/h2-8H,1H3,(H,20,21)