4-[[(5-nitro-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]methyl]benzenesulfonamide

Systemtic Name: 4-[[(5-nitro-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]methyl]benzenesulfonamide Openeye Name: 4-[[(2-hydroxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]methyl]benzenesulfonamide CAS Name: 4-[[(2-hydroxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]methyl]benzenesulfonamide IUPAC Name: 4-[[(2-hydroxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]methyl]benzenesulfonamide Traditional Name: 4-[[(2-hydroxy-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]methyl]benzenesulfonamide Formula: C14H13N3O6S MolecularWeight: 351.33452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC=C2C=C(C(=O)C=C2O)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC=C2C=C(C(=O)C=C2O)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C14H13N3O6S/c15-24(22,23)11-3-1-9(2-4-11)7-16-8-10-5-12(17(20)21)14(19)6-13(10)18/h1-6,8,16,18H,7H2,(H2,15,22,23)