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

Systemtic Name: tert-butyl N-(3-chloranyl-4-fluoranyl-phenyl)-N-[7-(cyclopropylmethoxy)-6-nitro-quinazolin-4-yl]carbamate Openeye Name: tert-butyl N-(3-chloro-4-fluoro-phenyl)-N-[7-(cyclopropylmethoxy)-6-nitro-quinazolin-4-yl]carbamate CAS Name: N-(3-chloro-4-fluorophenyl)-N-[7-(cyclopropylmethoxy)-6-nitro-4-quinazolinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(3-chloro-4-fluorophenyl)-N-[7-(cyclopropylmethoxy)-6-nitroquinazolin-4-yl]carbamate Traditional Name: N-(3-chloro-4-fluoro-phenyl)-N-[7-(cyclopropylmethoxy)-6-nitro-quinazolin-4-yl]carbamic acid tert-butyl ester Formula: C23H22ClFN4O5 MolecularWeight: 488.895983

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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-])OCC4CC4

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-])OCC4CC4

InChI

InChI=1S/C23H22ClFN4O5/c1-23(2,3)34-22(30)28(14-6-7-17(25)16(24)8-14)21-15-9-19(29(31)32)20(33-11-13-4-5-13)10-18(15)26-12-27-21/h6-10,12-13H,4-5,11H2,1-3H3