5-[5-[bis(5-methyl-3-oxidanidyl-1H-pyrazol-4-yl)methyl]furan-2-yl]-2-chloranyl-benzoate

Systemtic Name: 5-[5-[bis(5-methyl-3-oxidanidyl-1H-pyrazol-4-yl)methyl]furan-2-yl]-2-chloranyl-benzoate Openeye Name: 5-[5-[bis(5-methyl-3-oxido-1H-pyrazol-4-yl)methyl]-2-furyl]-2-chloro-benzoate CAS Name: 5-[5-[bis(5-methyl-3-oxido-1H-pyrazol-4-yl)methyl]-2-furanyl]-2-chlorobenzoate IUPAC Name: 5-[5-[bis(5-methyl-3-oxido-1H-pyrazol-4-yl)methyl]furan-2-yl]-2-chlorobenzoate Traditional Name: 5-[5-[bis(5-methyl-3-oxido-1H-pyrazol-4-yl)methyl]-2-furyl]-2-chloro-benzoate Formula: C20H14ClN4O5-3 MolecularWeight: 425.80196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)[O-])C(C2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)[O-])C4=C(NN=C4[O-])C

Isomeric SMILES

CC1=C(C(=NN1)[O-])C(C2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)[O-])C4=C(NN=C4[O-])C

InChI

InChI=1S/C20H17ClN4O5/c1-8-15(18(26)24-22-8)17(16-9(2)23-25-19(16)27)14-6-5-13(30-14)10-3-4-12(21)11(7-10)20(28)29/h3-7,17H,1-2H3,(H,28,29)(H2,22,24,26)(H2,23,25,27)/p-3