[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 3-(1,3-dioxoisoindolin-2-yl)benzoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)benzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 3-phthalimidobenzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H17N3O6/c1-2-10-22-21(29)23-17(25)12-30-20(28)13-6-5-7-14(11-13)24-18(26)15-8-3-4-9-16(15)19(24)27/h2-9,11H,1,10,12H2,(H2,22,23,25,29)