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

Systemtic Name: ethyl 2-(2-methyl-1,3-dioxolan-2-yl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: ethyl 2-(2-methyl-1,3-dioxolan-2-yl)-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 2-(2-methyl-1,3-dioxolan-2-yl)-3-(5-nitro-1,3-dioxo-2-isoindolyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-(2-methyl-1,3-dioxolan-2-yl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-5-nitro-isoindolin-2-yl)-2-(2-methyl-1,3-dioxolan-2-yl)propionic acid ethyl ester Formula: C17H18N2O8 MolecularWeight: 378.33342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C3(OCCO3)C

Isomeric SMILES

CCOC(=O)C(CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C3(OCCO3)C

InChI

InChI=1S/C17H18N2O8/c1-3-25-16(22)13(17(2)26-6-7-27-17)9-18-14(20)11-5-4-10(19(23)24)8-12(11)15(18)21/h4-5,8,13H,3,6-7,9H2,1-2H3