ethyl 4-[2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(5-bromo-1,3-dioxo-isoindolin-2-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(5-bromo-1,3-dioxo-2-isoindolyl)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(5-bromo-1,3-diketo-isoindolin-2-yl)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H18BrN3O5 MolecularWeight: 424.24592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C17H18BrN3O5/c1-2-26-17(25)20-7-5-19(6-8-20)14(22)10-21-15(23)12-4-3-11(18)9-13(12)16(21)24/h3-4,9H,2,5-8,10H2,1H3