2-dimethylaminoethylcarbamoyl 4-nitrobenzenesulfonate

Systemtic Name: 2-dimethylaminoethylcarbamoyl 4-nitrobenzenesulfonate Openeye Name: 2-dimethylaminoethylcarbamoyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(2-dimethylaminoethylamino)-oxomethyl] ester IUPAC Name: 2-dimethylaminoethylcarbamoyl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid 2-dimethylaminoethylcarbamoyl ester Formula: C11H15N3O6S MolecularWeight: 317.3183

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNC(=O)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O6S/c1-13(2)8-7-12-11(15)20-21(18,19)10-5-3-9(4-6-10)14(16)17/h3-6H,7-8H2,1-2H3,(H,12,15)