dimethyl 2-(1,2,3-tritert-butylcycloprop-2-en-1-yl)-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-(1,2,3-tritert-butylcycloprop-2-en-1-yl)-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 2-(1,2,3-tritert-butylcycloprop-2-en-1-yl)triazole-4,5-dicarboxylate CAS Name: 2-(1,2,3-tritert-butyl-1-cycloprop-2-enyl)triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(1,2,3-tritert-butylcycloprop-2-en-1-yl)triazole-4,5-dicarboxylate Traditional Name: 2-(1,2,3-tritert-butylcycloprop-2-en-1-yl)triazole-4,5-dicarboxylic acid dimethyl ester Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C1(C(C)(C)C)N2N=C(C(=N2)C(=O)OC)C(=O)OC)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C(C1(C(C)(C)C)N2N=C(C(=N2)C(=O)OC)C(=O)OC)C(C)(C)C

InChI

InChI=1S/C21H33N3O4/c1-18(2,3)14-15(19(4,5)6)21(14,20(7,8)9)24-22-12(16(25)27-10)13(23-24)17(26)28-11/h1-11H3