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

Systemtic Name: sodium 4-[(4Z)-4-[(4-aminophenyl)methylidene]-3-carboxy-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: sodium 4-[(4Z)-4-[(4-aminophenyl)methylene]-3-carboxy-5-oxo-pyrazol-1-yl]benzoate CAS Name: sodium 4-[(4Z)-4-[(4-aminophenyl)methylidene]-3-carboxy-5-oxo-1-pyrazolyl]benzoate IUPAC Name: sodium 4-[(4Z)-4-[(4-aminophenyl)methylidene]-3-carboxy-5-oxopyrazol-1-yl]benzoate Traditional Name: sodium 4-[(4Z)-4-(4-aminobenzylidene)-3-carboxy-5-keto-2-pyrazolin-1-yl]benzoate Formula: C18H12N3NaO5 MolecularWeight: 373.29475

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)[O-])C(=O)O)N.[Na+]

Isomeric SMILES

C1=CC(=CC=C1/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)C(=O)[O-])C(=O)O)N.[Na+]

InChI

InChI=1S/C18H13N3O5.Na/c19-12-5-1-10(2-6-12)9-14-15(18(25)26)20-21(16(14)22)13-7-3-11(4-8-13)17(23)24;/h1-9H,19H2,(H,23,24)(H,25,26);/q;+1/p-1/b14-9-;