4-[(4E)-3-azanylidene-4-[(4-bromophenyl)methylidene]-1H-isoquinolin-2-yl]benzoic acid bromide

Systemtic Name: 4-[(4E)-3-azanylidene-4-[(4-bromophenyl)methylidene]-1H-isoquinolin-2-yl]benzoic acid bromide Openeye Name: 4-[(4E)-4-[(4-bromophenyl)methylene]-3-imino-1H-isoquinolin-2-yl]benzoic acid bromide CAS Name: 4-[(4E)-4-[(4-bromophenyl)methylidene]-3-imino-1H-isoquinolin-2-yl]benzoic acid bromide IUPAC Name: 4-[(4E)-4-[(4-bromophenyl)methylidene]-3-imino-1H-isoquinolin-2-yl]benzoic acid bromide Traditional Name: 4-[(4E)-4-(4-bromobenzylidene)-3-imino-1H-isoquinolin-2-yl]benzoic acid bromide Formula: C23H17Br2N2O2- MolecularWeight: 513.20128

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=CC3=CC=C(C=C3)Br)C(=N)N1C4=CC=C(C=C4)C(=O)O.[Br-]

Isomeric SMILES

C1C2=CC=CC=C2/C(=C\C3=CC=C(C=C3)Br)/C(=N)N1C4=CC=C(C=C4)C(=O)O.[Br-]

InChI

InChI=1S/C23H17BrN2O2.BrH/c24-18-9-5-15(6-10-18)13-21-20-4-2-1-3-17(20)14-26(22(21)25)19-11-7-16(8-12-19)23(27)28;/h1-13,25H,14H2,(H,27,28);1H/p-1/b21-13+,25-22?;