N-(2-azanylethyl)-2-nitro-benzenesulfonamide; ethanedioic acid

Systemtic Name: N-(2-azanylethyl)-2-nitro-benzenesulfonamide; ethanedioic acid Openeye Name: N-(2-aminoethyl)-2-nitro-benzenesulfonamide; oxalic acid CAS Name: N-(2-aminoethyl)-2-nitrobenzenesulfonamide; oxalic acid IUPAC Name: N-(2-aminoethyl)-2-nitrobenzenesulfonamide; oxalic acid Traditional Name: N-(2-aminoethyl)-2-nitro-benzenesulfonamide; oxalic acid Formula: C10H13N3O8S MolecularWeight: 335.29052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCCN.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCCN.C(=O)(C(=O)O)O

InChI

InChI=1S/C8H11N3O4S.C2H2O4/c9-5-6-10-16(14,15)8-4-2-1-3-7(8)11(12)13;3-1(4)2(5)6/h1-4,10H,5-6,9H2;(H,3,4)(H,5,6)