2-(1-benzofuran-7-ylmethyl)-2-nitro-3-oxidanylidene-3-phenoxy-propanoic acid

Systemtic Name: 2-(1-benzofuran-7-ylmethyl)-2-nitro-3-oxidanylidene-3-phenoxy-propanoic acid Openeye Name: 2-(benzofuran-7-ylmethyl)-2-nitro-3-oxo-3-phenoxy-propanoic acid CAS Name: 2-(7-benzofuranylmethyl)-2-nitro-3-oxo-3-phenoxypropanoic acid IUPAC Name: 2-(1-benzofuran-7-ylmethyl)-2-nitro-3-oxo-3-phenoxypropanoic acid Traditional Name: 2-(benzofuran-7-ylmethyl)-3-keto-2-nitro-3-phenoxy-propionic acid Formula: C18H13NO7 MolecularWeight: 355.29832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C(CC2=CC=CC3=C2OC=C3)(C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C(CC2=CC=CC3=C2OC=C3)(C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H13NO7/c20-16(21)18(19(23)24,17(22)26-14-7-2-1-3-8-14)11-13-6-4-5-12-9-10-25-15(12)13/h1-10H,11H2,(H,20,21)