tert-butyl N-[1-[4-(cyanomethyl)-3-nitro-pyridin-2-yl]piperidin-4-yl]carbamate

Systemtic Name: tert-butyl N-[1-[4-(cyanomethyl)-3-nitro-pyridin-2-yl]piperidin-4-yl]carbamate Openeye Name: tert-butyl N-[1-[4-(cyanomethyl)-3-nitro-2-pyridyl]-4-piperidyl]carbamate CAS Name: N-[1-[4-(cyanomethyl)-3-nitro-2-pyridinyl]-4-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[4-(cyanomethyl)-3-nitropyridin-2-yl]piperidin-4-yl]carbamate Traditional Name: N-[1-[4-(cyanomethyl)-3-nitro-2-pyridyl]-4-piperidyl]carbamic acid tert-butyl ester Formula: C17H23N5O4 MolecularWeight: 361.39562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(CC1)C2=NC=CC(=C2[N+](=O)[O-])CC#N

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(CC1)C2=NC=CC(=C2[N+](=O)[O-])CC#N

InChI

InChI=1S/C17H23N5O4/c1-17(2,3)26-16(23)20-13-6-10-21(11-7-13)15-14(22(24)25)12(4-8-18)5-9-19-15/h5,9,13H,4,6-7,10-11H2,1-3H3,(H,20,23)