[4-azido-2-[(1,5,5-trimethyl-2,3,4-tritritio-cyclohexyl)methylcarbamoyl]phenyl] ethanoate

Systemtic Name: [4-azido-2-[(1,5,5-trimethyl-2,3,4-tritritio-cyclohexyl)methylcarbamoyl]phenyl] ethanoate Openeye Name: [4-azido-2-[(1,5,5-trimethyl-2,3,4-tritritio-cyclohexyl)methylcarbamoyl]phenyl] acetate CAS Name: acetic acid [4-azido-2-[oxo-[(1,5,5-trimethyl-2,3,4-tritritiocyclohexyl)methylamino]methyl]phenyl] ester IUPAC Name: [4-azido-2-[(1,5,5-trimethyl-2,3,4-tritritiocyclohexyl)methylcarbamoyl]phenyl] acetate Traditional Name: acetic acid [4-azido-2-[(1,5,5-trimethyl-2,3,4-tritritio-cyclohexyl)methylcarbamoyl]phenyl] ester Formula: C19H26N4O3 MolecularWeight: 364.459068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)N=[N+]=[N-])C(=O)NCC2(CCCC(C2)(C)C)C

Isomeric SMILES

[3H]C1C(C(CC(C1[3H])(C)CNC(=O)C2=C(C=CC(=C2)N=[N+]=[N-])OC(=O)C)(C)C)[3H]

InChI

InChI=1S/C19H26N4O3/c1-13(24)26-16-7-6-14(22-23-20)10-15(16)17(25)21-12-19(4)9-5-8-18(2,3)11-19/h6-7,10H,5,8-9,11-12H2,1-4H3,(H,21,25)/i5T,8T,9T