5-(4-aminocarbonyl-5-azanyl-pyrazol-1-yl)-2-chloranyl-benzoic acid; sulfuric acid

Systemtic Name: 5-(4-aminocarbonyl-5-azanyl-pyrazol-1-yl)-2-chloranyl-benzoic acid; sulfuric acid Openeye Name: 5-(5-amino-4-carbamoyl-pyrazol-1-yl)-2-chloro-benzoic acid; sulfuric acid CAS Name: 5-(5-amino-4-carbamoyl-1-pyrazolyl)-2-chlorobenzoic acid; sulfuric acid IUPAC Name: 5-(5-amino-4-carbamoylpyrazol-1-yl)-2-chlorobenzoic acid; sulfuric acid Traditional Name: 5-(5-amino-4-carbamoyl-pyrazol-1-yl)-2-chloro-benzoic acid; sulfuric acid Formula: C11H11ClN4O7S MolecularWeight: 378.74564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C(=C(C=N2)C(=O)N)N)C(=O)O)Cl.OS(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N2C(=C(C=N2)C(=O)N)N)C(=O)O)Cl.OS(=O)(=O)O

InChI

InChI=1S/C11H9ClN4O3.H2O4S/c12-8-2-1-5(3-6(8)11(18)19)16-9(13)7(4-15-16)10(14)17;1-5(2,3)4/h1-4H,13H2,(H2,14,17)(H,18,19);(H2,1,2,3,4)