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

Systemtic Name: tert-butyl N-(3-bromophenyl)-N-[7-(2-methoxyethoxy)-6-nitro-quinazolin-4-yl]carbamate Openeye Name: tert-butyl N-(3-bromophenyl)-N-[7-(2-methoxyethoxy)-6-nitro-quinazolin-4-yl]carbamate CAS Name: N-(3-bromophenyl)-N-[7-(2-methoxyethoxy)-6-nitro-4-quinazolinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(3-bromophenyl)-N-[7-(2-methoxyethoxy)-6-nitroquinazolin-4-yl]carbamate Traditional Name: N-(3-bromophenyl)-N-[7-(2-methoxyethoxy)-6-nitro-quinazolin-4-yl]carbamic acid tert-butyl ester Formula: C22H23BrN4O6 MolecularWeight: 519.34522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN4O6/c1-22(2,3)33-21(28)26(15-7-5-6-14(23)10-15)20-16-11-18(27(29)30)19(32-9-8-31-4)12-17(16)24-13-25-20/h5-7,10-13H,8-9H2,1-4H3