2-hexyldecyl 6-isocyano-2,5-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate

Systemtic Name: 2-hexyldecyl 6-isocyano-2,5-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate Openeye Name: 2-hexyldecyl 6-isocyano-2,5-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate CAS Name: 6-isocyano-2,5-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylic acid 2-hexyldecyl ester IUPAC Name: 2-hexyldecyl 6-isocyano-2,5-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate Traditional Name: 6-isocyano-2,5-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylic acid 2-hexyldecyl ester Formula: C25H40N4O2 MolecularWeight: 428.6107

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)COC(=O)C1=C2N=C(NN2C(=C1[N+]#[C-])C)C

Isomeric SMILES

CCCCCCCCC(CCCCCC)COC(=O)C1=C2N=C(NN2C(=C1[N+]#[C-])C)C

InChI

InChI=1S/C25H40N4O2/c1-6-8-10-12-13-15-17-21(16-14-11-9-7-2)18-31-25(30)22-23(26-5)19(3)29-24(22)27-20(4)28-29/h21H,6-18H2,1-4H3,(H,27,28)