3-[5-(carboxymethyl)-2-nitro-1-benzofuran-4-yl]benzoic acid

Systemtic Name: 3-[5-(carboxymethyl)-2-nitro-1-benzofuran-4-yl]benzoic acid Openeye Name: 3-[5-(carboxymethyl)-2-nitro-benzofuran-4-yl]benzoic acid CAS Name: 3-[5-(carboxymethyl)-2-nitro-4-benzofuranyl]benzoic acid IUPAC Name: 3-[5-(carboxymethyl)-2-nitro-1-benzofuran-4-yl]benzoic acid Traditional Name: 3-[5-(carboxymethyl)-2-nitro-benzofuran-4-yl]benzoic acid Formula: C17H11NO7 MolecularWeight: 341.27174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=C(C=CC3=C2C=C(O3)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=C(C=CC3=C2C=C(O3)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C17H11NO7/c19-15(20)7-10-4-5-13-12(8-14(25-13)18(23)24)16(10)9-2-1-3-11(6-9)17(21)22/h1-6,8H,7H2,(H,19,20)(H,21,22)