5-methyl-2-nitro-3-phenyl-1-benzofuran-7-carboxylic acid

Systemtic Name: 5-methyl-2-nitro-3-phenyl-1-benzofuran-7-carboxylic acid Openeye Name: 5-methyl-2-nitro-3-phenyl-benzofuran-7-carboxylic acid CAS Name: 5-methyl-2-nitro-3-phenyl-7-benzofurancarboxylic acid IUPAC Name: 5-methyl-2-nitro-3-phenyl-1-benzofuran-7-carboxylic acid Traditional Name: 5-methyl-2-nitro-3-phenyl-benzofuran-7-carboxylic acid Formula: C16H11NO5 MolecularWeight: 297.26224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO5/c1-9-7-11-13(10-5-3-2-4-6-10)15(17(20)21)22-14(11)12(8-9)16(18)19/h2-8H,1H3,(H,18,19)