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

Systemtic Name: ethyl 5-[5-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]-2-chloranyl-benzoate Openeye Name: ethyl 5-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furyl]-2-chloro-benzoate CAS Name: 5-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furanyl]-2-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 5-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]-2-chlorobenzoate Traditional Name: 5-[5-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-2-furyl]-2-chloro-benzoic acid ethyl ester Formula: C22H21ClN4O5 MolecularWeight: 456.87894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C)Cl

InChI

InChI=1S/C22H21ClN4O5/c1-4-31-22(30)13-9-12(5-6-14(13)23)15-7-8-16(32-15)19(17-10(2)24-26-20(17)28)18-11(3)25-27-21(18)29/h5-9,19H,4H2,1-3H3,(H2,24,26,28)(H2,25,27,29)