5-methyl-4-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-methyl-4-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-1,2-dihydropyrazol-3-one CAS Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-1,2-dihydropyrazol-3-one Traditional Name: 4-[(3-keto-5-methyl-3-pyrazolin-4-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C16H15N5O6 MolecularWeight: 373.3202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=C(NNC4=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=C(NNC4=O)C

InChI

InChI=1S/C16H15N5O6/c1-6-12(15(22)19-17-6)14(13-7(2)18-20-16(13)23)8-3-10-11(27-5-26-10)4-9(8)21(24)25/h3-4,14H,5H2,1-2H3,(H2,17,19,22)(H2,18,20,23)