ethyl 5-bromanyl-3-phenylmethoxy-1-propan-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-phenylmethoxy-1-propan-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 3-benzyloxy-5-bromo-1-isopropyl-pyrazole-4-carboxylate CAS Name: 5-bromo-3-phenylmethoxy-1-propan-2-yl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-phenylmethoxy-1-propan-2-ylpyrazole-4-carboxylate Traditional Name: 3-benzoxy-5-bromo-1-isopropyl-pyrazole-4-carboxylic acid ethyl ester Formula: C16H19BrN2O3 MolecularWeight: 367.23766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1OCC2=CC=CC=C2)C(C)C)Br

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1OCC2=CC=CC=C2)C(C)C)Br

InChI

InChI=1S/C16H19BrN2O3/c1-4-21-16(20)13-14(17)19(11(2)3)18-15(13)22-10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3