3-nitro-4-[2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]benzenesulfonamide

Systemtic Name: 3-nitro-4-[2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]benzenesulfonamide Openeye Name: 3-nitro-4-[2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]benzenesulfonamide CAS Name: 3-nitro-4-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]benzenesulfonamide IUPAC Name: 3-nitro-4-[2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]benzenesulfonamide Traditional Name: 4-[N'-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3-nitro-benzenesulfonamide Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=CNNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=O)C=CC1=CNNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5S/c14-23(21,22)11-5-6-12(13(7-11)17(19)20)16-15-8-9-1-3-10(18)4-2-9/h1-8,15-16H,(H2,14,21,22)