tert-butyl 4-(5-iodanyl-6-nitro-quinolin-2-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-iodanyl-6-nitro-quinolin-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-iodanyl-6-nitro-2-quinolyl)piperazine-1-carboxylate CAS Name: 4-(5-iodanyl-6-nitro-2-quinolinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-iodanyl-6-nitroquinolin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(5-iodanyl-6-nitro-2-quinolyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H21IN4O4 MolecularWeight: 482.288364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(C=C2)C(=C(C=C3)[N+](=O)[O-])I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(C=C2)C(=C(C=C3)[N+](=O)[O-])[125I]

InChI

InChI=1S/C18H21IN4O4/c1-18(2,3)27-17(24)22-10-8-21(9-11-22)15-7-4-12-13(20-15)5-6-14(16(12)19)23(25)26/h4-7H,8-11H2,1-3H3/i19-2