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

Systemtic Name: ethyl 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: ethyl 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid ethyl ester Formula: C13H12N2O6 MolecularWeight: 292.24418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

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