ethyl 2-(2-dimethylaminoethylsulfamoyl)-6-nitro-benzoate

Systemtic Name: ethyl 2-(2-dimethylaminoethylsulfamoyl)-6-nitro-benzoate Openeye Name: ethyl 2-(2-dimethylaminoethylsulfamoyl)-6-nitro-benzoate CAS Name: 2-(2-dimethylaminoethylsulfamoyl)-6-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-(2-dimethylaminoethylsulfamoyl)-6-nitrobenzoate Traditional Name: 2-(2-dimethylaminoethylsulfamoyl)-6-nitro-benzoic acid ethyl ester Formula: C13H19N3O6S MolecularWeight: 345.37146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC=C1S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=CC=C1S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O6S/c1-4-22-13(17)12-10(16(18)19)6-5-7-11(12)23(20,21)14-8-9-15(2)3/h5-7,14H,4,8-9H2,1-3H3