ethyl (2Z)-2-[2-[(3-bromophenyl)methyl]-3-oxidanylidene-isoindol-1-ylidene]-2-cyano-ethanoate

Systemtic Name: ethyl (2Z)-2-[2-[(3-bromophenyl)methyl]-3-oxidanylidene-isoindol-1-ylidene]-2-cyano-ethanoate Openeye Name: ethyl (2Z)-2-[2-[(3-bromophenyl)methyl]-3-oxo-isoindolin-1-ylidene]-2-cyano-acetate CAS Name: (2Z)-2-[2-[(3-bromophenyl)methyl]-3-oxo-1-isoindolylidene]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[2-[(3-bromophenyl)methyl]-3-oxoisoindol-1-ylidene]-2-cyanoacetate Traditional Name: (2Z)-2-[2-(3-bromobenzyl)-3-keto-isoindolin-1-ylidene]-2-cyano-acetic acid ethyl ester Formula: C20H15BrN2O3 MolecularWeight: 411.2487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C2=CC=CC=C2C(=O)N1CC3=CC(=CC=C3)Br)C#N

Isomeric SMILES

CCOC(=O)/C(=C\1/C2=CC=CC=C2C(=O)N1CC3=CC(=CC=C3)Br)/C#N

InChI

InChI=1S/C20H15BrN2O3/c1-2-26-20(25)17(11-22)18-15-8-3-4-9-16(15)19(24)23(18)12-13-6-5-7-14(21)10-13/h3-10H,2,12H2,1H3/b18-17-