N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-2,1,3-benzoxadiazole-4-sulfonamide

Systemtic Name: N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-2,1,3-benzoxadiazole-4-sulfonamide Openeye Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-2,1,3-benzoxadiazole-4-sulfonamide CAS Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-2,1,3-benzoxadiazole-4-sulfonamide IUPAC Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-2,1,3-benzoxadiazole-4-sulfonamide Traditional Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]benzofurazan-4-sulfonamide Formula: C19H13ClN4O6S MolecularWeight: 460.84772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=CC4=NON=C43)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=CC4=NON=C43)Cl

InChI

InChI=1S/C19H13ClN4O6S/c1-11-7-14(5-6-16(11)20)29-15-9-12(8-13(10-15)24(25)26)23-31(27,28)18-4-2-3-17-19(18)22-30-21-17/h2-10,23H,1H3