[4-[3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[[3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]pyrazol-1-yl]methyl ester Formula: C19H22BrN3O4 MolecularWeight: 436.29968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)C=CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)C=CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C19H22BrN3O4/c1-19(2,3)18(25)27-12-23-11-15(10-21-23)22-17(24)8-5-13-9-14(20)6-7-16(13)26-4/h5-11H,12H2,1-4H3,(H,22,24)