tert-butyl 3-cyano-4-(2-nitrophenyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-cyano-4-(2-nitrophenyl)piperazine-1-carboxylate Openeye Name: tert-butyl 3-cyano-4-(2-nitrophenyl)piperazine-1-carboxylate CAS Name: 3-cyano-4-(2-nitrophenyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-cyano-4-(2-nitrophenyl)piperazine-1-carboxylate Traditional Name: 3-cyano-4-(2-nitrophenyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C#N)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C#N)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O4/c1-16(2,3)24-15(21)18-8-9-19(12(10-17)11-18)13-6-4-5-7-14(13)20(22)23/h4-7,12H,8-9,11H2,1-3H3