disodium (3Z)-3-[[4-(2-carboxyethylcarbamoyl)phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: disodium (3Z)-3-[[4-(2-carboxyethylcarbamoyl)phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: disodium (3Z)-3-[[4-(2-carboxyethylcarbamoyl)phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: disodium (3Z)-3-[[4-[(2-carboxyethylamino)-oxomethyl]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: disodium (3Z)-3-[[4-(2-carboxyethylcarbamoyl)phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: disodium (3Z)-3-[[4-(2-carboxyethylcarbamoyl)phenyl]hydrazono]-6-keto-cyclohexa-1,4-diene-1-carboxylate Formula: C34H28N6Na2O12 MolecularWeight: 758.59866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCC(=O)O)N/N=C/2\C=C(C(=O)C=C2)C(=O)[O-].C1=CC(=CC=C1C(=O)NCCC(=O)O)N/N=C/2\C=C(C(=O)C=C2)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/2C17H15N3O6.2Na/c2*21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23;;/h2*1-6,9,19H,7-8H2,(H,18,24)(H,22,23)(H,25,26);;/q;;2*+1/p-2/b2*20-12-;;