5-(4-chloranyl-2-nitro-phenoxy)-1,3-dimethyl-pyrazole-4-carboxylate

Systemtic Name: 5-(4-chloranyl-2-nitro-phenoxy)-1,3-dimethyl-pyrazole-4-carboxylate Openeye Name: 5-(4-chloro-2-nitro-phenoxy)-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 5-(4-chloro-2-nitrophenoxy)-1,3-dimethyl-4-pyrazolecarboxylate IUPAC Name: 5-(4-chloro-2-nitrophenoxy)-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-(4-chloro-2-nitro-phenoxy)-1,3-dimethyl-pyrazole-4-carboxylate Formula: C12H9ClN3O5- MolecularWeight: 310.66996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)[O-])OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1C(=O)[O-])OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C12H10ClN3O5/c1-6-10(12(17)18)11(15(2)14-6)21-9-4-3-7(13)5-8(9)16(19)20/h3-5H,1-2H3,(H,17,18)/p-1