5-bromanyl-2-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoate

Systemtic Name: 5-bromanyl-2-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoate Openeye Name: 5-bromo-2-[(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzoate CAS Name: 5-bromo-2-[[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoate IUPAC Name: 5-bromo-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoate Traditional Name: 5-bromo-2-[(2-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]benzoate Formula: C20H16BrN2O5- MolecularWeight: 444.25544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)[O-]

InChI

InChI=1S/C20H17BrN2O5/c1-2-3-8-23-18(25)13-6-4-11(9-14(13)19(23)26)17(24)22-16-7-5-12(21)10-15(16)20(27)28/h4-7,9-10H,2-3,8H2,1H3,(H,22,24)(H,27,28)/p-1