2-(4-ethyl-2-nitro-3-phenyl-1-benzofuran-7-yl)ethanoic acid

Systemtic Name: 2-(4-ethyl-2-nitro-3-phenyl-1-benzofuran-7-yl)ethanoic acid Openeye Name: 2-(4-ethyl-2-nitro-3-phenyl-benzofuran-7-yl)acetic acid CAS Name: 2-(4-ethyl-2-nitro-3-phenyl-7-benzofuranyl)acetic acid IUPAC Name: 2-(4-ethyl-2-nitro-3-phenyl-1-benzofuran-7-yl)acetic acid Traditional Name: 2-(4-ethyl-2-nitro-3-phenyl-benzofuran-7-yl)acetic acid Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=C(OC2=C(C=C1)CC(=O)O)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCC1=C2C(=C(OC2=C(C=C1)CC(=O)O)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H15NO5/c1-2-11-8-9-13(10-14(20)21)17-15(11)16(18(24-17)19(22)23)12-6-4-3-5-7-12/h3-9H,2,10H2,1H3,(H,20,21)