ethyl 2-(5-bromanylindazol-1-yl)-4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: ethyl 2-(5-bromanylindazol-1-yl)-4-oxidanylidene-4-phenyl-butanoate Openeye Name: ethyl 2-(5-bromoindazol-1-yl)-4-oxo-4-phenyl-butanoate CAS Name: 2-(5-bromo-1-indazolyl)-4-oxo-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-(5-bromoindazol-1-yl)-4-oxo-4-phenylbutanoate Traditional Name: 2-(5-bromoindazol-1-yl)-4-keto-4-phenyl-butyric acid ethyl ester Formula: C19H17BrN2O3 MolecularWeight: 401.25388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)C1=CC=CC=C1)N2C3=C(C=C(C=C3)Br)C=N2

Isomeric SMILES

CCOC(=O)C(CC(=O)C1=CC=CC=C1)N2C3=C(C=C(C=C3)Br)C=N2

InChI

InChI=1S/C19H17BrN2O3/c1-2-25-19(24)17(11-18(23)13-6-4-3-5-7-13)22-16-9-8-15(20)10-14(16)12-21-22/h3-10,12,17H,2,11H2,1H3