5-[[5-(1,3-benzodioxol-5-yl)-5-methyl-2-oxidanylidene-oxolan-3-yl]amino]-1H-pyrazole-4-carbonitrile

Systemtic Name: 5-[[5-(1,3-benzodioxol-5-yl)-5-methyl-2-oxidanylidene-oxolan-3-yl]amino]-1H-pyrazole-4-carbonitrile Openeye Name: 5-[[5-(1,3-benzodioxol-5-yl)-5-methyl-2-oxo-tetrahydrofuran-3-yl]amino]-1H-pyrazole-4-carbonitrile CAS Name: 5-[[5-(1,3-benzodioxol-5-yl)-5-methyl-2-oxo-3-oxolanyl]amino]-1H-pyrazole-4-carbonitrile IUPAC Name: 5-[[5-(1,3-benzodioxol-5-yl)-5-methyl-2-oxooxolan-3-yl]amino]-1H-pyrazole-4-carbonitrile Traditional Name: 5-[[5-(1,3-benzodioxol-5-yl)-2-keto-5-methyl-tetrahydrofuran-3-yl]amino]-1H-pyrazole-4-carbonitrile Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(=O)O1)NC2=C(C=NN2)C#N)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1(CC(C(=O)O1)NC2=C(C=NN2)C#N)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H14N4O4/c1-16(10-2-3-12-13(4-10)23-8-22-12)5-11(15(21)24-16)19-14-9(6-17)7-18-20-14/h2-4,7,11H,5,8H2,1H3,(H2,18,19,20)