2-[3-(4-cyanophenyl)-2-nitro-1-benzofuran-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-cyanophenyl)-2-nitro-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[3-(4-cyanophenyl)-2-nitro-benzofuran-5-yl]acetic acid CAS Name: 2-[3-(4-cyanophenyl)-2-nitro-5-benzofuranyl]acetic acid IUPAC Name: 2-[3-(4-cyanophenyl)-2-nitro-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[3-(4-cyanophenyl)-2-nitro-benzofuran-5-yl]acetic acid Formula: C17H10N2O5 MolecularWeight: 322.2717

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=C(OC3=C2C=C(C=C3)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=C(OC3=C2C=C(C=C3)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H10N2O5/c18-9-10-1-4-12(5-2-10)16-13-7-11(8-15(20)21)3-6-14(13)24-17(16)19(22)23/h1-7H,8H2,(H,20,21)