ethyl 2-[1-(4-bromanylbutyl)-6-nitro-2,4-bis(oxidanylidene)quinazolin-3-yl]-2-methyl-propanoate

Systemtic Name: ethyl 2-[1-(4-bromanylbutyl)-6-nitro-2,4-bis(oxidanylidene)quinazolin-3-yl]-2-methyl-propanoate Openeye Name: ethyl 2-[1-(4-bromobutyl)-6-nitro-2,4-dioxo-quinazolin-3-yl]-2-methyl-propanoate CAS Name: 2-[1-(4-bromobutyl)-6-nitro-2,4-dioxo-3-quinazolinyl]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-bromobutyl)-6-nitro-2,4-dioxoquinazolin-3-yl]-2-methylpropanoate Traditional Name: 2-[1-(4-bromobutyl)-2,4-diketo-6-nitro-quinazolin-3-yl]-2-methyl-propionic acid ethyl ester Formula: C18H22BrN3O6 MolecularWeight: 456.28778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)N1C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N(C1=O)CCCCBr

Isomeric SMILES

CCOC(=O)C(C)(C)N1C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N(C1=O)CCCCBr

InChI

InChI=1S/C18H22BrN3O6/c1-4-28-16(24)18(2,3)21-15(23)13-11-12(22(26)27)7-8-14(13)20(17(21)25)10-6-5-9-19/h7-8,11H,4-6,9-10H2,1-3H3