(4Z)-4-[(4-aminophenyl)methylidene]-1-(carboxymethyl)-5-oxidanylidene-pyrazole-3-carboxylic acid

Systemtic Name: (4Z)-4-[(4-aminophenyl)methylidene]-1-(carboxymethyl)-5-oxidanylidene-pyrazole-3-carboxylic acid Openeye Name: (4Z)-4-[(4-aminophenyl)methylene]-1-(carboxymethyl)-5-oxo-pyrazole-3-carboxylic acid CAS Name: (4Z)-4-[(4-aminophenyl)methylidene]-1-(carboxymethyl)-5-oxo-3-pyrazolecarboxylic acid IUPAC Name: (4Z)-4-[(4-aminophenyl)methylidene]-1-(carboxymethyl)-5-oxopyrazole-3-carboxylic acid Traditional Name: (4Z)-4-(4-aminobenzylidene)-1-(carboxymethyl)-5-keto-2-pyrazoline-3-carboxylic acid Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=NN(C2=O)CC(=O)O)C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1/C=C\2/C(=NN(C2=O)CC(=O)O)C(=O)O)N

InChI

InChI=1S/C13H11N3O5/c14-8-3-1-7(2-4-8)5-9-11(13(20)21)15-16(12(9)19)6-10(17)18/h1-5H,6,14H2,(H,17,18)(H,20,21)/b9-5-