3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-5-bromanyl-1H-indole-2-carboxylate

Systemtic Name: 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-5-bromanyl-1H-indole-2-carboxylate Openeye Name: 5-bromo-3-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[2-(1,3-dioxo-2-isoindolyl)ethyl]-1H-indole-2-carboxylate IUPAC Name: 5-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-(2-phthalimidoethyl)-1H-indole-2-carboxylate Formula: C19H12BrN2O4- MolecularWeight: 412.21358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=C(NC4=C3C=C(C=C4)Br)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=C(NC4=C3C=C(C=C4)Br)C(=O)[O-]

InChI

InChI=1S/C19H13BrN2O4/c20-10-5-6-15-14(9-10)11(16(21-15)19(25)26)7-8-22-17(23)12-3-1-2-4-13(12)18(22)24/h1-6,9,21H,7-8H2,(H,25,26)/p-1