[4-[(E)-(furan-2-ylcarbonylhydrazinylidene)methyl]phenyl] 3-bromanyl-1-methyl-pyrazole-4-carboxylate

Systemtic Name: [4-[(E)-(furan-2-ylcarbonylhydrazinylidene)methyl]phenyl] 3-bromanyl-1-methyl-pyrazole-4-carboxylate Openeye Name: [4-[(E)-(furan-2-carbonylhydrazono)methyl]phenyl] 3-bromo-1-methyl-pyrazole-4-carboxylate CAS Name: 3-bromo-1-methyl-4-pyrazolecarboxylic acid [4-[(E)-[[2-furanyl(oxo)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(furan-2-carbonylhydrazinylidene)methyl]phenyl] 3-bromo-1-methylpyrazole-4-carboxylate Traditional Name: 3-bromo-1-methyl-pyrazole-4-carboxylic acid [4-[(E)-(2-furoylhydrazono)methyl]phenyl] ester Formula: C17H13BrN4O4 MolecularWeight: 417.21352

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)Br)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=CO3

Isomeric SMILES

CN1C=C(C(=N1)Br)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=CO3

InChI

InChI=1S/C17H13BrN4O4/c1-22-10-13(15(18)21-22)17(24)26-12-6-4-11(5-7-12)9-19-20-16(23)14-3-2-8-25-14/h2-10H,1H3,(H,20,23)/b19-9+