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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC[N+](=O)[O-])N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

COC(=O)C(CC[N+](=O)[O-])N1C(=O)C2=CC=CC=C2C1=O

InChI

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