methyl 1-[(2-chloranyl-4-nitro-phenoxy)methyl]pyrazole-3-carboxylate

Systemtic Name: methyl 1-[(2-chloranyl-4-nitro-phenoxy)methyl]pyrazole-3-carboxylate Openeye Name: methyl 1-[(2-chloro-4-nitro-phenoxy)methyl]pyrazole-3-carboxylate CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carboxylate Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]pyrazole-3-carboxylic acid methyl ester Formula: C12H10ClN3O5 MolecularWeight: 311.6779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H10ClN3O5/c1-20-12(17)10-4-5-15(14-10)7-21-11-3-2-8(16(18)19)6-9(11)13/h2-6H,7H2,1H3