[4-(diethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(diethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(diethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[diethylamino(oxo)methyl]phenyl] ester IUPAC Name: [4-(diethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(diethylcarbamoyl)phenyl] ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S/c1-3-18(4-2)17(20)13-8-10-15(11-9-13)25-26(23,24)16-7-5-6-14(12-16)19(21)22/h5-12H,3-4H2,1-2H3