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

Systemtic Name: ethyl 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]coumarilic acid ethyl ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5/c1-4-24-17(21)16-13(12-7-5-6-8-14(12)25-16)9-19-11(3)15(20(22)23)10(2)18-19/h5-8H,4,9H2,1-3H3