4-[4-[(5-bromanylfuran-2-yl)carbonylamino]pyrazol-1-yl]butanoate

Systemtic Name: 4-[4-[(5-bromanylfuran-2-yl)carbonylamino]pyrazol-1-yl]butanoate Openeye Name: 4-[4-[(5-bromofuran-2-carbonyl)amino]pyrazol-1-yl]butanoate CAS Name: 4-[4-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-pyrazolyl]butanoate IUPAC Name: 4-[4-[(5-bromofuran-2-carbonyl)amino]pyrazol-1-yl]butanoate Traditional Name: 4-[4-[(5-bromo-2-furoyl)amino]pyrazol-1-yl]butyrate Formula: C12H11BrN3O4- MolecularWeight: 341.13744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)Br)C(=O)NC2=CN(N=C2)CCCC(=O)[O-]

Isomeric SMILES

C1=C(OC(=C1)Br)C(=O)NC2=CN(N=C2)CCCC(=O)[O-]

InChI

InChI=1S/C12H12BrN3O4/c13-10-4-3-9(20-10)12(19)15-8-6-14-16(7-8)5-1-2-11(17)18/h3-4,6-7H,1-2,5H2,(H,15,19)(H,17,18)/p-1