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

Systemtic Name: ethyl 2-(2-methyl-1,3-dioxolan-2-yl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: ethyl 2-(2-methyl-1,3-dioxolan-2-yl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 2-(2-methyl-1,3-dioxolan-2-yl)-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-(2-methyl-1,3-dioxolan-2-yl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-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(=CC=C2)[N+](=O)[O-])C3(OCCO3)C

Isomeric SMILES

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

InChI

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