2-(2-nitro-1-benzofuran-3-yl)-2-phenyl-ethanoic acid

Systemtic Name: 2-(2-nitro-1-benzofuran-3-yl)-2-phenyl-ethanoic acid Openeye Name: 2-(2-nitrobenzofuran-3-yl)-2-phenyl-acetic acid CAS Name: 2-(2-nitro-3-benzofuranyl)-2-phenylacetic acid IUPAC Name: 2-(2-nitro-1-benzofuran-3-yl)-2-phenylacetic acid Traditional Name: 2-(2-nitrobenzofuran-3-yl)-2-phenyl-acetic acid Formula: C16H11NO5 MolecularWeight: 297.26224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=C(OC3=CC=CC=C32)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=C(OC3=CC=CC=C32)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H11NO5/c18-16(19)13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)22-15(14)17(20)21/h1-9,13H,(H,18,19)