1-azanylpropylcarbamoyl 2-nitrobenzenesulfonate

Systemtic Name: 1-azanylpropylcarbamoyl 2-nitrobenzenesulfonate Openeye Name: 1-aminopropylcarbamoyl 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [(1-aminopropylamino)-oxomethyl] ester IUPAC Name: 1-aminopropylcarbamoyl 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid 1-aminopropylcarbamoyl ester Formula: C10H13N3O6S MolecularWeight: 303.29172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N)NC(=O)OS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCC(N)NC(=O)OS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O6S/c1-2-9(11)12-10(14)19-20(17,18)8-6-4-3-5-7(8)13(15)16/h3-6,9H,2,11H2,1H3,(H,12,14)