[3-(dimethylcarbamoyl)phenyl] 2,3-dimethyl-5-nitro-benzenesulfonate

Systemtic Name: [3-(dimethylcarbamoyl)phenyl] 2,3-dimethyl-5-nitro-benzenesulfonate Openeye Name: [3-(dimethylcarbamoyl)phenyl] 2,3-dimethyl-5-nitro-benzenesulfonate CAS Name: 2,3-dimethyl-5-nitrobenzenesulfonic acid [3-[dimethylamino(oxo)methyl]phenyl] ester IUPAC Name: [3-(dimethylcarbamoyl)phenyl] 2,3-dimethyl-5-nitrobenzenesulfonate Traditional Name: 2,3-dimethyl-5-nitro-benzenesulfonic acid [3-(dimethylcarbamoyl)phenyl] ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC=CC(=C2)C(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC=CC(=C2)C(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S/c1-11-8-14(19(21)22)10-16(12(11)2)26(23,24)25-15-7-5-6-13(9-15)17(20)18(3)4/h5-10H,1-4H3