[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C15H17N3O5S MolecularWeight: 351.37758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC=C(S1)[N+](=O)[O-])C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC=C(S1)[N+](=O)[O-])C2(CCCCC2)C#N

InChI

InChI=1S/C15H17N3O5S/c1-17(15(10-16)7-3-2-4-8-15)12(19)9-23-14(20)11-5-6-13(24-11)18(21)22/h5-6H,2-4,7-9H2,1H3