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

Systemtic Name: ethyl 4-[(4E)-3-azanylidene-4-[(4-bromophenyl)methylidene]-1H-isoquinolin-2-yl]benzoate bromide Openeye Name: ethyl 4-[(4E)-4-[(4-bromophenyl)methylene]-3-imino-1H-isoquinolin-2-yl]benzoate bromide CAS Name: 4-[(4E)-4-[(4-bromophenyl)methylidene]-3-imino-1H-isoquinolin-2-yl]benzoic acid ethyl ester bromide IUPAC Name: ethyl 4-[(4E)-4-[(4-bromophenyl)methylidene]-3-imino-1H-isoquinolin-2-yl]benzoate bromide Traditional Name: 4-[(4E)-4-(4-bromobenzylidene)-3-imino-1H-isoquinolin-2-yl]benzoic acid ethyl ester bromide Formula: C25H21Br2N2O2- MolecularWeight: 541.25444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C(=CC4=CC=C(C=C4)Br)C2=N.[Br-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3/C(=C\C4=CC=C(C=C4)Br)/C2=N.[Br-]

InChI

InChI=1S/C25H21BrN2O2.BrH/c1-2-30-25(29)18-9-13-21(14-10-18)28-16-19-5-3-4-6-22(19)23(24(28)27)15-17-7-11-20(26)12-8-17;/h3-15,27H,2,16H2,1H3;1H/p-1/b23-15+,27-24?;