tert-butyl 4-[3-(2-nitrophenyl)prop-2-ynoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(2-nitrophenyl)prop-2-ynoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(2-nitrophenyl)prop-2-ynoyl]piperazine-1-carboxylate CAS Name: 4-[3-(2-nitrophenyl)-1-oxoprop-2-ynyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(2-nitrophenyl)prop-2-ynoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(2-nitrophenyl)propioloyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C#CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C#CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5/c1-18(2,3)26-17(23)20-12-10-19(11-13-20)16(22)9-8-14-6-4-5-7-15(14)21(24)25/h4-7H,10-13H2,1-3H3