tert-butyl 4-(2-nitrothiophen-3-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-nitrothiophen-3-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-nitro-3-thienyl)piperazine-1-carboxylate CAS Name: 4-(2-nitro-3-thiophenyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-nitrothiophen-3-yl)piperazine-1-carboxylate Traditional Name: 4-(2-nitro-3-thienyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(SC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(SC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4S/c1-13(2,3)20-12(17)15-7-5-14(6-8-15)10-4-9-21-11(10)16(18)19/h4,9H,5-8H2,1-3H3