[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 2-[4,5,6,7-tetrakis(bromanyl)-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 2-[4,5,6,7-tetrakis(bromanyl)-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-(4-ethylanilino)-2-oxo-ethyl] 2-(4,5,6,7-tetrabromo-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 2-(4,5,6,7-tetrabromo-1,3-dioxo-2-isoindolyl)propanoic acid [2-(4-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylanilino)-2-oxoethyl] 2-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 2-(4,5,6,7-tetrabromo-1,3-diketo-isoindolin-2-yl)propionic acid [2-(4-ethylanilino)-2-keto-ethyl] ester Formula: C21H16Br4N2O5 MolecularWeight: 695.97814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)COC(=O)C(C)N2C(=O)C3=C(C2=O)C(=C(C(=C3Br)Br)Br)Br

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)COC(=O)C(C)N2C(=O)C3=C(C2=O)C(=C(C(=C3Br)Br)Br)Br

InChI

InChI=1S/C21H16Br4N2O5/c1-3-10-4-6-11(7-5-10)26-12(28)8-32-21(31)9(2)27-19(29)13-14(20(27)30)16(23)18(25)17(24)15(13)22/h4-7,9H,3,8H2,1-2H3,(H,26,28)