2-[1,3-bis(oxidanylidene)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindol-2-yl]ethyl propanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindol-2-yl]ethyl propanoate Openeye Name: 2-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindolin-2-yl]ethyl propanoate CAS Name: propanoic acid 2-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)-2-isoindolyl]ethyl ester IUPAC Name: 2-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]ethyl propanoate Traditional Name: propionic acid 2-[1,3-diketo-5-(4-keto-3,1-benzoxazin-2-yl)isoindolin-2-yl]ethyl ester Formula: C21H16N2O6 MolecularWeight: 392.36154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CCC(=O)OCCN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H16N2O6/c1-2-17(24)28-10-9-23-19(25)13-8-7-12(11-15(13)20(23)26)18-22-16-6-4-3-5-14(16)21(27)29-18/h3-8,11H,2,9-10H2,1H3