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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O6/c1-2-7-22-12(17)5-6-15-13(18)10-4-3-9(16(20)21)8-11(10)14(15)19/h3-4,8H,2,5-7H2,1H3