sodium 2-[(4Z)-4-[(4-aminophenyl)methylidene]-3-carboxy-5-oxidanylidene-pyrazol-1-yl]ethanoate

Systemtic Name: sodium 2-[(4Z)-4-[(4-aminophenyl)methylidene]-3-carboxy-5-oxidanylidene-pyrazol-1-yl]ethanoate Openeye Name: sodium 2-[(4Z)-4-[(4-aminophenyl)methylene]-3-carboxy-5-oxo-pyrazol-1-yl]acetate CAS Name: sodium 2-[(4Z)-4-[(4-aminophenyl)methylidene]-3-carboxy-5-oxo-1-pyrazolyl]acetate IUPAC Name: sodium 2-[(4Z)-4-[(4-aminophenyl)methylidene]-3-carboxy-5-oxopyrazol-1-yl]acetate Traditional Name: sodium 2-[(4Z)-4-(4-aminobenzylidene)-3-carboxy-5-keto-2-pyrazolin-1-yl]acetate Formula: C13H10N3NaO5 MolecularWeight: 311.22537

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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.[Na+]

Isomeric SMILES

C1=CC(=CC=C1/C=C\2/C(=NN(C2=O)CC(=O)[O-])C(=O)O)N.[Na+]

InChI

InChI=1S/C13H11N3O5.Na/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);/q;+1/p-1/b9-5-;