2-(3-azanyl-2-methyl-5-sulfo-phenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid

Systemtic Name: 2-(3-azanyl-2-methyl-5-sulfo-phenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: 2-(3-amino-2-methyl-5-sulfo-phenyl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 2-(3-amino-2-methyl-5-sulfophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-(3-amino-2-methyl-5-sulfophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 1-(3-amino-2-methyl-5-sulfo-phenyl)-5-keto-3-pyrazoline-3-carboxylic acid Formula: C11H11N3O6S MolecularWeight: 313.28654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N2C(=O)C=C(N2)C(=O)O)S(=O)(=O)O)N

Isomeric SMILES

CC1=C(C=C(C=C1N2C(=O)C=C(N2)C(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C11H11N3O6S/c1-5-7(12)2-6(21(18,19)20)3-9(5)14-10(15)4-8(13-14)11(16)17/h2-4,13H,12H2,1H3,(H,16,17)(H,18,19,20)