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

Systemtic Name: ethyl 5-bromanyl-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]coumarilic acid ethyl ester Formula: C17H16BrN3O5 MolecularWeight: 422.23004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H16BrN3O5/c1-4-25-17(22)16-13(12-7-11(18)5-6-14(12)26-16)8-20-10(3)15(21(23)24)9(2)19-20/h5-7H,4,8H2,1-3H3