methyl 4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: methyl 4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: methyl 4-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanoate CAS Name: 4-(4-nitro-1,3-dioxo-2-isoindolyl)butanoic acid methyl ester IUPAC Name: methyl 4-(4-nitro-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-(1,3-diketo-4-nitro-isoindolin-2-yl)butyric acid methyl ester Formula: C13H12N2O6 MolecularWeight: 292.24418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O6/c1-21-10(16)6-3-7-14-12(17)8-4-2-5-9(15(19)20)11(8)13(14)18/h2,4-5H,3,6-7H2,1H3