2-[1-(4-bromanylbutyl)-6-nitro-2,4-bis(oxidanylidene)quinazolin-3-yl]pentanoic acid

Systemtic Name: 2-[1-(4-bromanylbutyl)-6-nitro-2,4-bis(oxidanylidene)quinazolin-3-yl]pentanoic acid Openeye Name: 2-[1-(4-bromobutyl)-6-nitro-2,4-dioxo-quinazolin-3-yl]pentanoic acid CAS Name: 2-[1-(4-bromobutyl)-6-nitro-2,4-dioxo-3-quinazolinyl]pentanoic acid IUPAC Name: 2-[1-(4-bromobutyl)-6-nitro-2,4-dioxoquinazolin-3-yl]pentanoic acid Traditional Name: 2-[1-(4-bromobutyl)-2,4-diketo-6-nitro-quinazolin-3-yl]valeric acid Formula: C17H20BrN3O6 MolecularWeight: 442.2612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN3O6/c1-2-5-14(16(23)24)20-15(22)12-10-11(21(26)27)6-7-13(12)19(17(20)25)9-4-3-8-18/h6-7,10,14H,2-5,8-9H2,1H3,(H,23,24)