4-[[(Z)-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]benzenesulfonamide

Systemtic Name: 4-[[(Z)-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]benzenesulfonamide Openeye Name: 4-[[(Z)-(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]benzenesulfonamide CAS Name: 4-[[(Z)-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]benzenesulfonamide IUPAC Name: 4-[[(Z)-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]benzenesulfonamide Traditional Name: 4-[[(Z)-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]amino]benzenesulfonamide Formula: C13H11N3O5S MolecularWeight: 321.30854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC=C2C=CC(=O)C(=C2)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1N/C=C\2/C=CC(=O)C(=C2)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C13H11N3O5S/c14-22(20,21)11-4-2-10(3-5-11)15-8-9-1-6-13(17)12(7-9)16(18)19/h1-8,15H,(H2,14,20,21)/b9-8-