tert-butyl 4-[(4-nitrophenyl)methyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-nitrophenyl)methyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(4-nitrophenyl)methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[(4-nitrophenyl)methyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-nitrophenyl)methyl]-3-oxopiperazine-1-carboxylate Traditional Name: 3-keto-4-(4-nitrobenzyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O5/c1-16(2,3)24-15(21)18-9-8-17(14(20)11-18)10-12-4-6-13(7-5-12)19(22)23/h4-7H,8-11H2,1-3H3