O3-ethyl O5-methyl 4-azido-1-(3-cyano-4-fluoranyl-phenyl)pyrazole-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-methyl 4-azido-1-(3-cyano-4-fluoranyl-phenyl)pyrazole-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 4-azido-1-(3-cyano-4-fluoro-phenyl)pyrazole-3,5-dicarboxylate CAS Name: 4-azido-1-(3-cyano-4-fluorophenyl)pyrazole-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl 4-azido-1-(3-cyano-4-fluorophenyl)pyrazole-3,5-dicarboxylate Traditional Name: 4-azido-1-(3-cyano-4-fluoro-phenyl)pyrazole-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C15H11FN6O4 MolecularWeight: 358.284043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1N=[N+]=[N-])C(=O)OC)C2=CC(=C(C=C2)F)C#N

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1N=[N+]=[N-])C(=O)OC)C2=CC(=C(C=C2)F)C#N

InChI

InChI=1S/C15H11FN6O4/c1-3-26-14(23)12-11(19-21-18)13(15(24)25-2)22(20-12)9-4-5-10(16)8(6-9)7-17/h4-6H,3H2,1-2H3