[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C11H12N2O5S MolecularWeight: 284.28838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=CC=C(S1)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)C1=CC=C(S1)[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O5S/c1-3-6-12-10(14)7(2)18-11(15)8-4-5-9(19-8)13(16)17/h3-5,7H,1,6H2,2H3,(H,12,14)