3-[2-[3-methyl-6-oxidanylidene-5-(phenylcarbonylimino)cyclohexa-1,3-dien-1-yl]hydrazinyl]-5-nitro-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 3-[2-[3-methyl-6-oxidanylidene-5-(phenylcarbonylimino)cyclohexa-1,3-dien-1-yl]hydrazinyl]-5-nitro-2-oxidanyl-benzenesulfonic acid Openeye Name: 3-[2-(5-benzoylimino-3-methyl-6-oxo-cyclohexa-1,3-dien-1-yl)hydrazino]-2-hydroxy-5-nitro-benzenesulfonic acid CAS Name: 3-[(5-benzoylimino-3-methyl-6-oxo-1-cyclohexa-1,3-dienyl)hydrazo]-2-hydroxy-5-nitrobenzenesulfonic acid IUPAC Name: 3-[2-(5-benzoylimino-3-methyl-6-oxocyclohexa-1,3-dien-1-yl)hydrazinyl]-2-hydroxy-5-nitrobenzenesulfonic acid Traditional Name: 3-[N'-(5-benzoylimino-6-keto-3-methyl-cyclohexa-1,3-dien-1-yl)hydrazino]-2-hydroxy-5-nitro-besylic acid Formula: C20H16N4O8S MolecularWeight: 472.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)C2=CC=CC=C2)C(=O)C(=C1)NNC3=CC(=CC(=C3O)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=O)C2=CC=CC=C2)C(=O)C(=C1)NNC3=CC(=CC(=C3O)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O8S/c1-11-7-14(21-20(27)12-5-3-2-4-6-12)18(25)15(8-11)22-23-16-9-13(24(28)29)10-17(19(16)26)33(30,31)32/h2-10,22-23,26H,1H3,(H,30,31,32)