3-[[4-[(4-nitro-2-sulfo-phenyl)amino]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 3-[[4-[(4-nitro-2-sulfo-phenyl)amino]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 3-[[4-(4-nitro-2-sulfo-anilino)phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 3-[[4-(4-nitro-2-sulfoanilino)phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 3-[[4-(4-nitro-2-sulfoanilino)phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 6-keto-3-[[4-(4-nitro-2-sulfo-anilino)phenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylic acid Formula: C19H14N4O8S MolecularWeight: 458.40146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)NN=C3C=CC(=O)C(=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)NN=C3C=CC(=O)C(=C3)C(=O)O

InChI

InChI=1S/C19H14N4O8S/c24-17-8-5-13(9-15(17)19(25)26)22-21-12-3-1-11(2-4-12)20-16-7-6-14(23(27)28)10-18(16)32(29,30)31/h1-10,20-21H,(H,25,26)(H,29,30,31)