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

Systemtic Name: 2-[1-(4-bromanylbutyl)-3-ethyl-6-nitro-2,4-bis(oxidanylidene)quinazolin-3-ium-3-yl]pentanoic acid Openeye Name: 2-[1-(4-bromobutyl)-3-ethyl-6-nitro-2,4-dioxo-quinazolin-3-ium-3-yl]pentanoic acid CAS Name: 2-[1-(4-bromobutyl)-3-ethyl-6-nitro-2,4-dioxo-3-quinazolin-3-iumyl]pentanoic acid IUPAC Name: 2-[1-(4-bromobutyl)-3-ethyl-6-nitro-2,4-dioxoquinazolin-3-ium-3-yl]pentanoic acid Traditional Name: 2-[1-(4-bromobutyl)-3-ethyl-2,4-diketo-6-nitro-quinazolin-3-ium-3-yl]valeric acid Formula: C19H25BrN3O6+ MolecularWeight: 471.3223

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)[N+]1(C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N(C1=O)CCCCBr)CC

Isomeric SMILES

CCCC(C(=O)O)[N+]1(C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N(C1=O)CCCCBr)CC

InChI

InChI=1S/C19H24BrN3O6/c1-3-7-16(18(25)26)23(4-2)17(24)14-12-13(22(28)29)8-9-15(14)21(19(23)27)11-6-5-10-20/h8-9,12,16H,3-7,10-11H2,1-2H3/p+1