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

Systemtic Name: 3-[[5-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furoyl]amino]benzoic acid Formula: C18H16ClN3O4 MolecularWeight: 373.79034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=CC=CC(=C3)C(=O)O)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=CC=CC(=C3)C(=O)O)C)Cl

InChI

InChI=1S/C18H16ClN3O4/c1-10-16(19)11(2)22(21-10)9-14-6-7-15(26-14)17(23)20-13-5-3-4-12(8-13)18(24)25/h3-8H,9H2,1-2H3,(H,20,23)(H,24,25)