ethyl 3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyloxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]oxymethyl]coumarilic acid ethyl ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H19N3O7/c1-4-27-19(24)18-14(13-7-5-6-8-15(13)29-18)10-28-16(23)9-21-12(3)17(22(25)26)11(2)20-21/h5-8H,4,9-10H2,1-3H3