tert-butyl N-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]carbamate

Systemtic Name: tert-butyl N-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]carbamate Openeye Name: tert-butyl N-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]carbamate CAS Name: N-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]carbamate Traditional Name: N-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]carbamic acid tert-butyl ester Formula: C9H15N5O4 MolecularWeight: 257.2465

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN1C=NC(=N1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCN1C=NC(=N1)[N+](=O)[O-]

InChI

InChI=1S/C9H15N5O4/c1-9(2,3)18-8(15)10-4-5-13-6-11-7(12-13)14(16)17/h6H,4-5H2,1-3H3,(H,10,15)