(4E)-1-(3-aminophenyl)-4-[(2-carboxy-4-sulfo-phenyl)hydrazinylidene]-5-oxidanylidene-pyrazole-3-carboxylic acid

Systemtic Name: (4E)-1-(3-aminophenyl)-4-[(2-carboxy-4-sulfo-phenyl)hydrazinylidene]-5-oxidanylidene-pyrazole-3-carboxylic acid Openeye Name: (4E)-1-(3-aminophenyl)-4-[(2-carboxy-4-sulfo-phenyl)hydrazono]-5-oxo-pyrazole-3-carboxylic acid CAS Name: (4E)-1-(3-aminophenyl)-4-[(2-carboxy-4-sulfophenyl)hydrazinylidene]-5-oxo-3-pyrazolecarboxylic acid IUPAC Name: (4E)-1-(3-aminophenyl)-4-[(2-carboxy-4-sulfophenyl)hydrazinylidene]-5-oxopyrazole-3-carboxylic acid Traditional Name: (4E)-1-(3-aminophenyl)-4-[(2-carboxy-4-sulfo-phenyl)hydrazono]-5-keto-2-pyrazoline-3-carboxylic acid Formula: C17H13N5O8S MolecularWeight: 447.37882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)N2C(=O)C(=NNC3=C(C=C(C=C3)S(=O)(=O)O)C(=O)O)C(=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N)N2C(=O)/C(=N/NC3=C(C=C(C=C3)S(=O)(=O)O)C(=O)O)/C(=N2)C(=O)O

InChI

InChI=1S/C17H13N5O8S/c18-8-2-1-3-9(6-8)22-15(23)13(14(21-22)17(26)27)20-19-12-5-4-10(31(28,29)30)7-11(12)16(24)25/h1-7,19H,18H2,(H,24,25)(H,26,27)(H,28,29,30)/b20-13+