4-[[1-(2-hydroxyphenyl)carbonyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]methylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[1-(2-hydroxyphenyl)carbonyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]methylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[[1-(2-hydroxybenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methylamino]benzoic acid CAS Name: 2-hydroxy-4-[[1-[(2-hydroxyphenyl)-oxomethyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]methylamino]benzoic acid IUPAC Name: 2-hydroxy-4-[[1-(2-hydroxybenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methylamino]benzoic acid Traditional Name: 2-hydroxy-4-[(5-keto-3-methyl-1-salicyloyl-2-pyrazolin-4-yl)methylamino]benzoic acid Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CNC2=CC(=C(C=C2)C(=O)O)O)C(=O)C3=CC=CC=C3O

Isomeric SMILES

CC1=NN(C(=O)C1CNC2=CC(=C(C=C2)C(=O)O)O)C(=O)C3=CC=CC=C3O

InChI

InChI=1S/C19H17N3O6/c1-10-14(9-20-11-6-7-13(19(27)28)16(24)8-11)18(26)22(21-10)17(25)12-4-2-3-5-15(12)23/h2-8,14,20,23-24H,9H2,1H3,(H,27,28)