6,7-diethoxy-3-methyl-5-nitro-1-benzofuran-2-carboxylic acid

Systemtic Name: 6,7-diethoxy-3-methyl-5-nitro-1-benzofuran-2-carboxylic acid Openeye Name: 6,7-diethoxy-3-methyl-5-nitro-benzofuran-2-carboxylic acid CAS Name: 6,7-diethoxy-3-methyl-5-nitro-2-benzofurancarboxylic acid IUPAC Name: 6,7-diethoxy-3-methyl-5-nitro-1-benzofuran-2-carboxylic acid Traditional Name: 6,7-diethoxy-3-methyl-5-nitro-coumarilic acid Formula: C14H15NO7 MolecularWeight: 309.2714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C(OC2=C1OCC)C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C(OC2=C1OCC)C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H15NO7/c1-4-20-12-9(15(18)19)6-8-7(3)10(14(16)17)22-11(8)13(12)21-5-2/h6H,4-5H2,1-3H3,(H,16,17)