2,2-dimethylpropyl 4-(4-nitropyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: 2,2-dimethylpropyl 4-(4-nitropyridin-2-yl)piperazine-1-carboxylate Openeye Name: 2,2-dimethylpropyl 4-(4-nitro-2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(4-nitro-2-pyridinyl)-1-piperazinecarboxylic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 4-(4-nitropyridin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(4-nitro-2-pyridyl)piperazine-1-carboxylic acid neopentyl ester Formula: C15H22N4O4 MolecularWeight: 322.35958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)N1CCN(CC1)C2=NC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)COC(=O)N1CCN(CC1)C2=NC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H22N4O4/c1-15(2,3)11-23-14(20)18-8-6-17(7-9-18)13-10-12(19(21)22)4-5-16-13/h4-5,10H,6-9,11H2,1-3H3