(4-tert-butylcyclohexyl) 2-(3-nitro-1,2,4-triazol-1-yl)ethanoate

Systemtic Name: (4-tert-butylcyclohexyl) 2-(3-nitro-1,2,4-triazol-1-yl)ethanoate Openeye Name: (4-tert-butylcyclohexyl) 2-(3-nitro-1,2,4-triazol-1-yl)acetate CAS Name: 2-(3-nitro-1,2,4-triazol-1-yl)acetic acid (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 2-(3-nitro-1,2,4-triazol-1-yl)acetate Traditional Name: 2-(3-nitro-1,2,4-triazol-1-yl)acetic acid (4-tert-butylcyclohexyl) ester Formula: C14H22N4O4 MolecularWeight: 310.34888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)OC(=O)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC(CC1)OC(=O)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H22N4O4/c1-14(2,3)10-4-6-11(7-5-10)22-12(19)8-17-9-15-13(16-17)18(20)21/h9-11H,4-8H2,1-3H3