dimethyl 5-[[5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H20BrN3O6 MolecularWeight: 490.304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C)Br

InChI

InChI=1S/C21H20BrN3O6/c1-11-18(22)12(2)25(24-11)10-16-5-6-17(31-16)19(26)23-15-8-13(20(27)29-3)7-14(9-15)21(28)30-4/h5-9H,10H2,1-4H3,(H,23,26)