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

Systemtic Name: methyl 3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: methyl 3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(5-nitro-1,3-dioxo-2-isoindolyl)propanoic acid methyl ester IUPAC Name: methyl 3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-5-nitro-isoindolin-2-yl)propionic acid methyl ester Formula: C12H10N2O6 MolecularWeight: 278.2176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O6/c1-20-10(15)4-5-13-11(16)8-3-2-7(14(18)19)6-9(8)12(13)17/h2-3,6H,4-5H2,1H3