(NE)-N-(3-chloranyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: (NE)-N-(3-chloranyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: (NE)-N-(3-chloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-methyl-5-nitro-benzenesulfonamide CAS Name: (NE)-N-(3-chloro-4-oxo-1-cyclohexa-2,5-dienylidene)-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: (NE)-N-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: (NE)-N-(3-chloro-4-keto-cyclohexa-2,5-dien-1-ylidene)-2-methyl-5-nitro-benzenesulfonamide Formula: C13H9ClN2O5S MolecularWeight: 340.73896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N=C2C=CC(=O)C(=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)/N=C/2\C=CC(=O)C(=C2)Cl

InChI

InChI=1S/C13H9ClN2O5S/c1-8-2-4-10(16(18)19)7-13(8)22(20,21)15-9-3-5-12(17)11(14)6-9/h2-7H,1H3/b15-9+