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

Systemtic Name: ethyl 5-bromanyl-3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]oxymethyl]coumarilic acid ethyl ester Formula: C19H18BrN3O7 MolecularWeight: 480.26612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O7/c1-4-28-19(25)18-14(13-7-12(20)5-6-15(13)30-18)9-29-16(24)8-22-11(3)17(23(26)27)10(2)21-22/h5-7H,4,8-9H2,1-3H3