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

Systemtic Name: 3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propyl ethanoate Openeye Name: 3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propyl acetate CAS Name: acetic acid 3-(5-nitro-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-nitro-1,3-dioxoisoindol-2-yl)propyl acetate Traditional Name: acetic acid 3-(1,3-diketo-5-nitro-isoindolin-2-yl)propyl ester Formula: C13H12N2O6 MolecularWeight: 292.24418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O6/c1-8(16)21-6-2-5-14-12(17)10-4-3-9(15(19)20)7-11(10)13(14)18/h3-4,7H,2,5-6H2,1H3