methyl 4-(1,3-dioxolan-2-yl)-3-(5-nitrofuran-2-yl)pyrazole-1-carboxylate

Systemtic Name: methyl 4-(1,3-dioxolan-2-yl)-3-(5-nitrofuran-2-yl)pyrazole-1-carboxylate Openeye Name: methyl 4-(1,3-dioxolan-2-yl)-3-(5-nitro-2-furyl)pyrazole-1-carboxylate CAS Name: 4-(1,3-dioxolan-2-yl)-3-(5-nitro-2-furanyl)-1-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-dioxolan-2-yl)-3-(5-nitrofuran-2-yl)pyrazole-1-carboxylate Traditional Name: 4-(1,3-dioxolan-2-yl)-3-(5-nitro-2-furyl)pyrazole-1-carboxylic acid methyl ester Formula: C12H11N3O7 MolecularWeight: 309.23164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C=C(C(=N1)C2=CC=C(O2)[N+](=O)[O-])C3OCCO3

Isomeric SMILES

COC(=O)N1C=C(C(=N1)C2=CC=C(O2)[N+](=O)[O-])C3OCCO3

InChI

InChI=1S/C12H11N3O7/c1-19-12(16)14-6-7(11-20-4-5-21-11)10(13-14)8-2-3-9(22-8)15(17)18/h2-3,6,11H,4-5H2,1H3