4-[[[5-[(4-bromanylpyrazol-1-yl)methyl]furan-2-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[5-[(4-bromanylpyrazol-1-yl)methyl]furan-2-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[5-[(4-bromo-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[5-[(4-bromopyrazol-1-yl)methyl]-2-furoyl]amino]methyl]benzoic acid Formula: C17H14BrN3O4 MolecularWeight: 404.21476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC=C(O2)CN3C=C(C=N3)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC=C(O2)CN3C=C(C=N3)Br)C(=O)O

InChI

InChI=1S/C17H14BrN3O4/c18-13-8-20-21(9-13)10-14-5-6-15(25-14)16(22)19-7-11-1-3-12(4-2-11)17(23)24/h1-6,8-9H,7,10H2,(H,19,22)(H,23,24)