(4-azanyl-3-nitro-phenyl) 4-chloranyl-3,5-dimethyl-benzenesulfonate

Systemtic Name: (4-azanyl-3-nitro-phenyl) 4-chloranyl-3,5-dimethyl-benzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 4-chloro-3,5-dimethyl-benzenesulfonate CAS Name: 4-chloro-3,5-dimethylbenzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 4-chloro-3,5-dimethylbenzenesulfonate Traditional Name: 4-chloro-3,5-dimethyl-benzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C14H13ClN2O5S MolecularWeight: 356.78142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C14H13ClN2O5S/c1-8-5-11(6-9(2)14(8)15)23(20,21)22-10-3-4-12(16)13(7-10)17(18)19/h3-7H,16H2,1-2H3