calcium (2E)-2-(pyridin-4-ylcarbonylhydrazinylidene)propanoate

Systemtic Name: calcium (2E)-2-(pyridin-4-ylcarbonylhydrazinylidene)propanoate Openeye Name: calcium (2E)-2-(pyridine-4-carbonylhydrazono)propanoate CAS Name: calcium (2E)-2-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]propanoate IUPAC Name: calcium (2E)-2-(pyridine-4-carbonylhydrazinylidene)propanoate Traditional Name: calcium (2E)-2-(isonicotinoylhydrazono)propionate Formula: C18H16CaN6O6 MolecularWeight: 452.43424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=NC=C1)C(=O)[O-].CC(=NNC(=O)C1=CC=NC=C1)C(=O)[O-].[Ca+2]

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=NC=C1)/C(=O)[O-].C/C(=N\NC(=O)C1=CC=NC=C1)/C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C9H9N3O3.Ca/c2*1-6(9(14)15)11-12-8(13)7-2-4-10-5-3-7;/h2*2-5H,1H3,(H,12,13)(H,14,15);/q;;+2/p-2/b2*11-6+;