(2,6-ditert-butylcyclohexyl) 2-(4-chloranyl-3-nitro-phenyl)-6-cyano-1H-pyrrolo[1,2-a]imidazole-7-carboxylate

Systemtic Name: (2,6-ditert-butylcyclohexyl) 2-(4-chloranyl-3-nitro-phenyl)-6-cyano-1H-pyrrolo[1,2-a]imidazole-7-carboxylate Openeye Name: (2,6-ditert-butylcyclohexyl) 2-(4-chloro-3-nitro-phenyl)-6-cyano-1H-pyrrolo[1,2-a]imidazole-7-carboxylate CAS Name: 2-(4-chloro-3-nitrophenyl)-6-cyano-1H-pyrrolo[1,2-a]imidazole-7-carboxylic acid (2,6-ditert-butylcyclohexyl) ester IUPAC Name: (2,6-ditert-butylcyclohexyl) 2-(4-chloro-3-nitrophenyl)-6-cyano-1H-pyrrolo[1,2-a]imidazole-7-carboxylate Traditional Name: 2-(4-chloro-3-nitro-phenyl)-6-cyano-1H-pyrrol[1,2-a]imidazole-7-carboxylic acid (2,6-ditert-butylcyclohexyl) ester Formula: C28H33ClN4O4 MolecularWeight: 525.03902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCCC(C1OC(=O)C2=C3NC(=CN3C=C2C#N)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CC(C)(C)C1CCCC(C1OC(=O)C2=C3NC(=CN3C=C2C#N)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C28H33ClN4O4/c1-27(2,3)18-8-7-9-19(28(4,5)6)24(18)37-26(34)23-17(13-30)14-32-15-21(31-25(23)32)16-10-11-20(29)22(12-16)33(35)36/h10-12,14-15,18-19,24,31H,7-9H2,1-6H3