tert-butyl N-(3-chloranyl-4-fluoranyl-phenyl)-N-[7-(2-methoxyethoxy)-6-nitro-quinazolin-4-yl]carbamate

Systemtic Name: tert-butyl N-(3-chloranyl-4-fluoranyl-phenyl)-N-[7-(2-methoxyethoxy)-6-nitro-quinazolin-4-yl]carbamate Openeye Name: tert-butyl N-(3-chloro-4-fluoro-phenyl)-N-[7-(2-methoxyethoxy)-6-nitro-quinazolin-4-yl]carbamate CAS Name: N-(3-chloro-4-fluorophenyl)-N-[7-(2-methoxyethoxy)-6-nitro-4-quinazolinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(3-chloro-4-fluorophenyl)-N-[7-(2-methoxyethoxy)-6-nitroquinazolin-4-yl]carbamate Traditional Name: N-(3-chloro-4-fluoro-phenyl)-N-[7-(2-methoxyethoxy)-6-nitro-quinazolin-4-yl]carbamic acid tert-butyl ester Formula: C22H22ClFN4O6 MolecularWeight: 492.884683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1=CC(=C(C=C1)F)Cl)C2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])OCCOC

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=CC(=C(C=C1)F)Cl)C2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])OCCOC

InChI

InChI=1S/C22H22ClFN4O6/c1-22(2,3)34-21(29)27(13-5-6-16(24)15(23)9-13)20-14-10-18(28(30)31)19(33-8-7-32-4)11-17(14)25-12-26-20/h5-6,9-12H,7-8H2,1-4H3