ethyl 3-methyl-5-nitro-4-oxidanyl-6-phenyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-nitro-4-oxidanyl-6-phenyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 4-hydroxy-3-methyl-5-nitro-6-phenyl-benzofuran-2-carboxylate CAS Name: 4-hydroxy-3-methyl-5-nitro-6-phenyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-3-methyl-5-nitro-6-phenyl-1-benzofuran-2-carboxylate Traditional Name: 4-hydroxy-3-methyl-5-nitro-6-phenyl-coumarilic acid ethyl ester Formula: C18H15NO6 MolecularWeight: 341.3148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=C(C(=C2O)[N+](=O)[O-])C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=C(C(=C2O)[N+](=O)[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C18H15NO6/c1-3-24-18(21)17-10(2)14-13(25-17)9-12(11-7-5-4-6-8-11)15(16(14)20)19(22)23/h4-9,20H,3H2,1-2H3