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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(OC3=C2C=C(C=C3)CC(=O)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(OC3=C2C=C(C=C3)CC(=O)O)[N+](=O)[O-])C(=O)O

InChI

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