methyl 4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: methyl 4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: methyl 4-(5-nitro-1,3-dioxo-isoindolin-2-yl)butanoate CAS Name: 4-(5-nitro-1,3-dioxo-2-isoindolyl)butanoic acid methyl ester IUPAC Name: methyl 4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-(1,3-diketo-5-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O6/c1-21-11(16)3-2-6-14-12(17)9-5-4-8(15(19)20)7-10(9)13(14)18/h4-5,7H,2-3,6H2,1H3