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

Systemtic Name: 3-methyl-5-nitro-1-benzofuran-2-carboxylic acid Openeye Name: 3-methyl-5-nitro-benzofuran-2-carboxylic acid CAS Name: 3-methyl-5-nitro-2-benzofurancarboxylic acid IUPAC Name: 3-methyl-5-nitro-1-benzofuran-2-carboxylic acid Traditional Name: 3-methyl-5-nitro-coumarilic acid Formula: C10H7NO5 MolecularWeight: 221.16628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H7NO5/c1-5-7-4-6(11(14)15)2-3-8(7)16-9(5)10(12)13/h2-4H,1H3,(H,12,13)