sodium (5E)-5-[[1,3-bis(oxidanylidene)-1-phenylazanyl-butan-2-yl]hydrazinylidene]-3-nitro-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonate

Systemtic Name: sodium (5E)-5-[[1,3-bis(oxidanylidene)-1-phenylazanyl-butan-2-yl]hydrazinylidene]-3-nitro-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonate Openeye Name: sodium (5E)-3-nitro-6-oxo-5-[[2-oxo-1-(phenylcarbamoyl)propyl]hydrazono]cyclohexa-1,3-diene-1-sulfonate CAS Name: sodium (5E)-5-[(1-anilino-1,3-dioxobutan-2-yl)hydrazinylidene]-3-nitro-6-oxo-1-cyclohexa-1,3-dienesulfonate IUPAC Name: sodium (5E)-5-[(1-anilino-1,3-dioxobutan-2-yl)hydrazinylidene]-3-nitro-6-oxocyclohexa-1,3-diene-1-sulfonate Traditional Name: sodium (5E)-6-keto-5-[[2-keto-1-(phenylcarbamoyl)propyl]hydrazono]-3-nitro-cyclohexa-1,3-diene-1-sulfonate Formula: C16H13N4NaO8S MolecularWeight: 444.35119

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)NC1=CC=CC=C1)NN=C2C=C(C=C(C2=O)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

CC(=O)C(C(=O)NC1=CC=CC=C1)N/N=C/2\C=C(C=C(C2=O)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C16H14N4O8S.Na/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;/h2-8,14,19H,1H3,(H,17,23)(H,26,27,28);/q;+1/p-1/b18-12+;