(2-morpholin-4-yl-2-oxidanylidene-ethyl) 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (2-morpholino-2-oxo-ethyl) 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (2-keto-2-morpholino-ethyl) ester Formula: C12H15N3O6 MolecularWeight: 297.264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC(=O)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC(=O)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O6/c1-13-7-9(15(18)19)6-10(13)12(17)21-8-11(16)14-2-4-20-5-3-14/h6-7H,2-5,8H2,1H3