[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C11H11N3O5 MolecularWeight: 265.22214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O5/c1-3-4-12-10(15)7-19-11(16)9-5-8(14(17)18)6-13(9)2/h1,5-6H,4,7H2,2H3,(H,12,15)