ethyl 2-methyl-7-(4-methyl-2-nitro-phenyl)-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-7-(4-methyl-2-nitro-phenyl)-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-7-(4-methyl-2-nitro-phenyl)benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-7-(4-methyl-2-nitrophenyl)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-7-(4-methyl-2-nitrophenyl)-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-7-(4-methyl-2-nitro-phenyl)benzofuran-3-carboxylic acid ethyl ester Formula: C19H17NO6 MolecularWeight: 355.34138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C=C(C=C12)O)C3=C(C=C(C=C3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C=C(C=C12)O)C3=C(C=C(C=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H17NO6/c1-4-25-19(22)17-11(3)26-18-14(8-12(21)9-15(17)18)13-6-5-10(2)7-16(13)20(23)24/h5-9,21H,4H2,1-3H3