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

Systemtic Name: 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl propanoate Openeye Name: 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)ethyl propanoate CAS Name: propanoic acid 2-(5-nitro-1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(5-nitro-1,3-dioxoisoindol-2-yl)ethyl propanoate Traditional Name: propionic acid 2-(1,3-diketo-5-nitro-isoindolin-2-yl)ethyl ester Formula: C13H12N2O6 MolecularWeight: 292.24418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O6/c1-2-11(16)21-6-5-14-12(17)9-4-3-8(15(19)20)7-10(9)13(14)18/h3-4,7H,2,5-6H2,1H3