sodium 2-(2-nitro-3-phenyl-1-benzofuran-5-yl)ethanoate

Systemtic Name: sodium 2-(2-nitro-3-phenyl-1-benzofuran-5-yl)ethanoate Openeye Name: sodium 2-(2-nitro-3-phenyl-benzofuran-5-yl)acetate CAS Name: sodium 2-(2-nitro-3-phenyl-5-benzofuranyl)acetate IUPAC Name: sodium 2-(2-nitro-3-phenyl-1-benzofuran-5-yl)acetate Traditional Name: sodium 2-(2-nitro-3-phenyl-benzofuran-5-yl)acetate Formula: C16H10NNaO5 MolecularWeight: 319.24407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO5.Na/c18-14(19)9-10-6-7-13-12(8-10)15(16(22-13)17(20)21)11-4-2-1-3-5-11;/h1-8H,9H2,(H,18,19);/q;+1/p-1