ethyl 4-[5-(2-methylprop-2-enoylamino)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: ethyl 4-[5-(2-methylprop-2-enoylamino)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: ethyl 4-[5-(2-methylprop-2-enoylamino)-1,3-dioxo-isoindolin-2-yl]benzoate CAS Name: 4-[5-[(2-methyl-1-oxoprop-2-enyl)amino]-1,3-dioxo-2-isoindolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-(2-methylprop-2-enoylamino)-1,3-dioxoisoindol-2-yl]benzoate Traditional Name: 4-(1,3-diketo-5-methacrylamido-isoindolin-2-yl)benzoic acid ethyl ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)C(=C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)C(=C)C

InChI

InChI=1S/C21H18N2O5/c1-4-28-21(27)13-5-8-15(9-6-13)23-19(25)16-10-7-14(11-17(16)20(23)26)22-18(24)12(2)3/h5-11H,2,4H2,1,3H3,(H,22,24)