1-(4-bromanylbutyl)-3-[(4-methoxyphenyl)methyl]-6-nitro-quinazoline-2,4-dione

Systemtic Name: 1-(4-bromanylbutyl)-3-[(4-methoxyphenyl)methyl]-6-nitro-quinazoline-2,4-dione Openeye Name: 1-(4-bromobutyl)-3-[(4-methoxyphenyl)methyl]-6-nitro-quinazoline-2,4-dione CAS Name: 1-(4-bromobutyl)-3-[(4-methoxyphenyl)methyl]-6-nitroquinazoline-2,4-dione IUPAC Name: 1-(4-bromobutyl)-3-[(4-methoxyphenyl)methyl]-6-nitroquinazoline-2,4-dione Traditional Name: 1-(4-bromobutyl)-6-nitro-3-p-anisyl-quinazoline-2,4-quinone Formula: C20H20BrN3O5 MolecularWeight: 462.2939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)CCCCBr

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)CCCCBr

InChI

InChI=1S/C20H20BrN3O5/c1-29-16-7-4-14(5-8-16)13-23-19(25)17-12-15(24(27)28)6-9-18(17)22(20(23)26)11-3-2-10-21/h4-9,12H,2-3,10-11,13H2,1H3