4-[(E)-2-(3-azanylidene-5,6-dimethoxy-1,2-benzoxazol-2-yl)-1-oxidanyl-ethenyl]-2-butyl-phenol hydrobromide

Systemtic Name: 4-[(E)-2-(3-azanylidene-5,6-dimethoxy-1,2-benzoxazol-2-yl)-1-oxidanyl-ethenyl]-2-butyl-phenol hydrobromide Openeye Name: 2-butyl-4-[(E)-1-hydroxy-2-(3-imino-5,6-dimethoxy-1,2-benzoxazol-2-yl)vinyl]phenol hydrobromide CAS Name: 2-butyl-4-[(E)-1-hydroxy-2-(3-imino-5,6-dimethoxy-1,2-benzoxazol-2-yl)ethenyl]phenol hydrobromide IUPAC Name: 2-butyl-4-[(E)-1-hydroxy-2-(3-imino-5,6-dimethoxy-1,2-benzoxazol-2-yl)ethenyl]phenol hydrobromide Traditional Name: 2-butyl-4-[(E)-1-hydroxy-2-(3-imino-5,6-dimethoxy-indoxazen-2-yl)vinyl]phenol hydrobromide Formula: C21H25BrN2O5 MolecularWeight: 465.3376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)C(=CN2C(=N)C3=CC(=C(C=C3O2)OC)OC)O)O.Br

Isomeric SMILES

CCCCC1=C(C=CC(=C1)/C(=C\N2C(=N)C3=CC(=C(C=C3O2)OC)OC)/O)O.Br

InChI

InChI=1S/C21H24N2O5.BrH/c1-4-5-6-13-9-14(7-8-16(13)24)17(25)12-23-21(22)15-10-19(26-2)20(27-3)11-18(15)28-23;/h7-12,22,24-25H,4-6H2,1-3H3;1H/b17-12+,22-21?;