2,3,4-trimethylpentan-3-yl 5-acetyloxy-6-isocyano-2-methyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate

Systemtic Name: 2,3,4-trimethylpentan-3-yl 5-acetyloxy-6-isocyano-2-methyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate Openeye Name: (1-isopropyl-1,2-dimethyl-propyl) 5-acetoxy-6-isocyano-2-methyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate CAS Name: 5-acetyloxy-6-isocyano-2-methyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylic acid 2,3,4-trimethylpentan-3-yl ester IUPAC Name: 2,3,4-trimethylpentan-3-yl 5-acetyloxy-6-isocyano-2-methyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate Traditional Name: 5-acetoxy-6-isocyano-2-methyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylic acid (1-isopropyl-1,2-dimethyl-propyl) ester Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C(N2N1)OC(=O)C)[N+]#[C-])C(=O)OC(C)(C(C)C)C(C)C

Isomeric SMILES

CC1=NC2=C(C(=C(N2N1)OC(=O)C)[N+]#[C-])C(=O)OC(C)(C(C)C)C(C)C

InChI

InChI=1S/C18H24N4O4/c1-9(2)18(7,10(3)4)26-17(24)13-14(19-8)16(25-12(6)23)22-15(13)20-11(5)21-22/h9-10H,1-7H3,(H,20,21)