2-(7-methyl-2-nitro-3-phenyl-1-benzofuran-5-yl)ethanoic acid

Systemtic Name: 2-(7-methyl-2-nitro-3-phenyl-1-benzofuran-5-yl)ethanoic acid Openeye Name: 2-(7-methyl-2-nitro-3-phenyl-benzofuran-5-yl)acetic acid CAS Name: 2-(7-methyl-2-nitro-3-phenyl-5-benzofuranyl)acetic acid IUPAC Name: 2-(7-methyl-2-nitro-3-phenyl-1-benzofuran-5-yl)acetic acid Traditional Name: 2-(7-methyl-2-nitro-3-phenyl-benzofuran-5-yl)acetic acid Formula: C17H13NO5 MolecularWeight: 311.28882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)CC(=O)O)C(=C(O2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=CC(=C1)CC(=O)O)C(=C(O2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H13NO5/c1-10-7-11(9-14(19)20)8-13-15(12-5-3-2-4-6-12)17(18(21)22)23-16(10)13/h2-8H,9H2,1H3,(H,19,20)