ethyl 7-cyano-4-oxidanylidene-10-phenyl-8-(trifluoromethyl)-6H-pyrimido[1,2-b]indazole-3-carboxylate

Systemtic Name: ethyl 7-cyano-4-oxidanylidene-10-phenyl-8-(trifluoromethyl)-6H-pyrimido[1,2-b]indazole-3-carboxylate Openeye Name: ethyl 7-cyano-4-oxo-10-phenyl-8-(trifluoromethyl)-6H-pyrimido[1,2-b]indazole-3-carboxylate CAS Name: 7-cyano-4-oxo-10-phenyl-8-(trifluoromethyl)-6H-pyrimido[1,2-b]indazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-cyano-4-oxo-10-phenyl-8-(trifluoromethyl)-6H-pyrimido[1,2-b]indazole-3-carboxylate Traditional Name: 7-cyano-4-keto-10-phenyl-8-(trifluoromethyl)-6H-pyrimid[1,2-b]indazole-3-carboxylic acid ethyl ester Formula: C21H13F3N4O3 MolecularWeight: 426.34813

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C3=C(C(=C(C=C3C4=CC=CC=C4)C(F)(F)F)C#N)NN2C1=O

Isomeric SMILES

CCOC(=O)C1=CN=C2C3=C(C(=C(C=C3C4=CC=CC=C4)C(F)(F)F)C#N)NN2C1=O

InChI

InChI=1S/C21H13F3N4O3/c1-2-31-20(30)14-10-26-18-16-12(11-6-4-3-5-7-11)8-15(21(22,23)24)13(9-25)17(16)27-28(18)19(14)29/h3-8,10,27H,2H2,1H3