N-(3-methyl-4-nitro-phenyl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(3-methyl-4-nitro-phenyl)-4-nitro-benzenesulfonamide Openeye Name: N-(3-methyl-4-nitro-phenyl)-4-nitro-benzenesulfonamide CAS Name: N-(3-methyl-4-nitrophenyl)-4-nitrobenzenesulfonamide IUPAC Name: N-(3-methyl-4-nitrophenyl)-4-nitrobenzenesulfonamide Traditional Name: N-(3-methyl-4-nitro-phenyl)-4-nitro-benzenesulfonamide Formula: C13H11N3O6S MolecularWeight: 337.30794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O6S/c1-9-8-10(2-7-13(9)16(19)20)14-23(21,22)12-5-3-11(4-6-12)15(17)18/h2-8,14H,1H3