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

Systemtic Name: butyl 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: butyl 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(5-nitro-1,3-dioxo-2-isoindolyl)acetic acid butyl ester IUPAC Name: butyl 2-(5-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetic acid butyl ester Formula: C14H14N2O6 MolecularWeight: 306.27076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O6/c1-2-3-6-22-12(17)8-15-13(18)10-5-4-9(16(20)21)7-11(10)14(15)19/h4-5,7H,2-3,6,8H2,1H3