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

Systemtic Name: ethyl 4-[5-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furyl]benzoate CAS Name: 4-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-2-furyl]benzoic acid ethyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O5/c1-4-30-22(29)14-7-5-13(6-8-14)15-9-10-16(31-15)19(17-11(2)23-25-20(17)27)18-12(3)24-26-21(18)28/h5-10,19H,4H2,1-3H3,(H2,23,25,27)(H2,24,26,28)