3-[[5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[[5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-4-methyl-benzoic acid Openeye Name: 3-[[5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[[5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furoyl]amino]-4-methyl-benzoic acid Formula: C19H18BrN3O4 MolecularWeight: 432.26792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C19H18BrN3O4/c1-10-4-5-13(19(25)26)8-15(10)21-18(24)16-7-6-14(27-16)9-23-12(3)17(20)11(2)22-23/h4-8H,9H2,1-3H3,(H,21,24)(H,25,26)