tert-butyl N-[(1S)-2-nitro-1-pyridin-3-yl-ethyl]carbamate

Systemtic Name: tert-butyl N-[(1S)-2-nitro-1-pyridin-3-yl-ethyl]carbamate Openeye Name: tert-butyl N-[(1S)-2-nitro-1-(3-pyridyl)ethyl]carbamate CAS Name: N-[(1S)-2-nitro-1-(3-pyridinyl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S)-2-nitro-1-pyridin-3-ylethyl]carbamate Traditional Name: N-[(1S)-2-nitro-1-(3-pyridyl)ethyl]carbamic acid tert-butyl ester Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C[N+](=O)[O-])C1=CN=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](C[N+](=O)[O-])C1=CN=CC=C1

InChI

InChI=1S/C12H17N3O4/c1-12(2,3)19-11(16)14-10(8-15(17)18)9-5-4-6-13-7-9/h4-7,10H,8H2,1-3H3,(H,14,16)/t10-/m1/s1