disodium (E,4E)-3-methyl-4-(pyridin-3-ylmethylidene)pent-2-enedioate

Systemtic Name: disodium (E,4E)-3-methyl-4-(pyridin-3-ylmethylidene)pent-2-enedioate Openeye Name: disodium (E,4E)-3-methyl-4-(3-pyridylmethylene)pent-2-enedioate CAS Name: disodium (E,4E)-3-methyl-4-(3-pyridinylmethylidene)-2-pentenedioate IUPAC Name: disodium (E,4E)-3-methyl-4-(pyridin-3-ylmethylidene)pent-2-enedioate Traditional Name: disodium (E,4E)-3-methyl-4-(3-pyridylmethylene)pent-2-enedioate Formula: C12H9NNa2O4 MolecularWeight: 277.1837

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)[O-])C(=CC1=CN=CC=C1)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C/C(=C\C(=O)[O-])/C(=C\C1=CN=CC=C1)/C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C12H11NO4.2Na/c1-8(5-11(14)15)10(12(16)17)6-9-3-2-4-13-7-9;;/h2-7H,1H3,(H,14,15)(H,16,17);;/q;2*+1/p-2/b8-5+,10-6+;;