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

Systemtic Name: methyl 2-[5-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]benzoate Openeye Name: methyl 2-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furyl]benzoate CAS Name: 2-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]benzoate Traditional Name: 2-[5-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-2-furyl]benzoic acid methyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=CC=CC=C3C(=O)OC)C4=C(NNC4=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=CC=CC=C3C(=O)OC)C4=C(NNC4=O)C

InChI

InChI=1S/C21H20N4O5/c1-10-16(19(26)24-22-10)18(17-11(2)23-25-20(17)27)15-9-8-14(30-15)12-6-4-5-7-13(12)21(28)29-3/h4-9,18H,1-3H3,(H2,22,24,26)(H2,23,25,27)