methyl 2-[5-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]-5-bromanyl-benzoate

Systemtic Name: methyl 2-[5-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]-5-bromanyl-benzoate Openeye Name: methyl 2-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furyl]-5-bromo-benzoate CAS Name: 2-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furanyl]-5-bromobenzoic acid methyl ester IUPAC Name: methyl 2-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]-5-bromobenzoate Traditional Name: 2-[5-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-2-furyl]-5-bromo-benzoic acid methyl ester Formula: C21H19BrN4O5 MolecularWeight: 487.30336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=C(C=C(C=C3)Br)C(=O)OC)C4=C(NNC4=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=C(C=C(C=C3)Br)C(=O)OC)C4=C(NNC4=O)C

InChI

InChI=1S/C21H19BrN4O5/c1-9-16(19(27)25-23-9)18(17-10(2)24-26-20(17)28)15-7-6-14(31-15)12-5-4-11(22)8-13(12)21(29)30-3/h4-8,18H,1-3H3,(H2,23,25,27)(H2,24,26,28)