3-[(4Z)-4-[(4-bromophenyl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]propanoate

Systemtic Name: 3-[(4Z)-4-[(4-bromophenyl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]propanoate Openeye Name: 3-[(4Z)-4-[(4-bromophenyl)methylene]-1,3-dioxo-2-isoquinolyl]propanoate CAS Name: 3-[(4Z)-4-[(4-bromophenyl)methylidene]-1,3-dioxo-2-isoquinolinyl]propanoate IUPAC Name: 3-[(4Z)-4-[(4-bromophenyl)methylidene]-1,3-dioxoisoquinolin-2-yl]propanoate Traditional Name: 3-[(4Z)-4-(4-bromobenzylidene)-1,3-diketo-2-isoquinolyl]propionate Formula: C19H13BrNO4- MolecularWeight: 399.21482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=CC=C(C=C3)Br)C(=O)N(C2=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C/C3=CC=C(C=C3)Br)/C(=O)N(C2=O)CCC(=O)[O-]

InChI

InChI=1S/C19H14BrNO4/c20-13-7-5-12(6-8-13)11-16-14-3-1-2-4-15(14)18(24)21(19(16)25)10-9-17(22)23/h1-8,11H,9-10H2,(H,22,23)/p-1/b16-11-