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

Systemtic Name: 4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butyl ethanoate Openeye Name: 4-(4-nitro-1,3-dioxo-isoindolin-2-yl)butyl acetate CAS Name: acetic acid 4-(4-nitro-1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(4-nitro-1,3-dioxoisoindol-2-yl)butyl acetate Traditional Name: acetic acid 4-(1,3-diketo-4-nitro-isoindolin-2-yl)butyl ester Formula: C14H14N2O6 MolecularWeight: 306.27076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCCCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

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