(3-nitrophenyl) 5-aminocarbonyl-1-methyl-pyrrole-3-sulfonate

Systemtic Name: (3-nitrophenyl) 5-aminocarbonyl-1-methyl-pyrrole-3-sulfonate Openeye Name: (3-nitrophenyl) 5-carbamoyl-1-methyl-pyrrole-3-sulfonate CAS Name: 5-carbamoyl-1-methyl-3-pyrrolesulfonic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 5-carbamoyl-1-methylpyrrole-3-sulfonate Traditional Name: 5-carbamoyl-1-methyl-pyrrole-3-sulfonic acid (3-nitrophenyl) ester Formula: C12H11N3O6S MolecularWeight: 325.29724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)OC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)OC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O6S/c1-14-7-10(6-11(14)12(13)16)22(19,20)21-9-4-2-3-8(5-9)15(17)18/h2-7H,1H3,(H2,13,16)