4-[6-bromanyl-9-(diethylamino)-5-oxidanylidene-benzo[a]phenoxazin-2-yl]oxybutanoic acid

Systemtic Name: 4-[6-bromanyl-9-(diethylamino)-5-oxidanylidene-benzo[a]phenoxazin-2-yl]oxybutanoic acid Openeye Name: 4-[6-bromo-9-(diethylamino)-5-oxo-benzo[a]phenoxazin-2-yl]oxybutanoic acid CAS Name: 4-[[6-bromo-9-(diethylamino)-5-oxo-2-benzo[a]phenoxazinyl]oxy]butanoic acid IUPAC Name: 4-[6-bromo-9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]oxybutanoic acid Traditional Name: 4-[6-bromo-9-(diethylamino)-5-keto-benzo[a]phenoxazin-2-yl]oxybutyric acid Formula: C24H23BrN2O5 MolecularWeight: 499.35382

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)N=C3C4=C(C=CC(=C4)OCCCC(=O)O)C(=O)C(=C3O2)Br

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)N=C3C4=C(C=CC(=C4)OCCCC(=O)O)C(=O)C(=C3O2)Br

InChI

InChI=1S/C24H23BrN2O5/c1-3-27(4-2)14-7-10-18-19(12-14)32-24-21(25)23(30)16-9-8-15(13-17(16)22(24)26-18)31-11-5-6-20(28)29/h7-10,12-13H,3-6,11H2,1-2H3,(H,28,29)