1,3-benzodioxol-5-yl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: 1,3-benzodioxol-5-yl 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid 1,3-benzodioxol-5-yl ester Formula: C17H10N2O8 MolecularWeight: 370.2699

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H10N2O8/c20-14(27-9-4-5-12-13(6-9)26-8-25-12)7-18-16(21)10-2-1-3-11(19(23)24)15(10)17(18)22/h1-6H,7-8H2