3-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furanyl]benzoic acid methyl ester (Q27183514)

MLS000715976 (English)

10 October 2016

chemical formula

C₂₁H₂₀N₄O₅

1 reference

MLS000715976 (English)

10 October 2016

canonical SMILES

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

1 reference

MLS000715976 (English)

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

10 October 2016

Identifiers

InChI

1 reference

MLS000715976 (English)

XHCYOXYTVCQWBK-UHFFFAOYSA-N

10 October 2016

InChIKey

2 references

MLS000715976 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Methyl 3-{5-[bis(5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)methyl]-2-furyl}benzoate (English)

10 October 2016

1 reference

MLS000715976 (English)

10 October 2016

ChEBI ID

105746

mapping relation type

1 reference

3-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furanyl]benzoic acid methyl ester (English)

10 October 2016

1 reference