methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-nitrooxy-propanoate

Systemtic Name: methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-nitrooxy-propanoate Openeye Name: methyl 2-(1,3-dioxoisoindolin-2-yl)-3-nitrooxy-propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-nitrooxypropanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dioxoisoindol-2-yl)-3-nitrooxypropanoate Traditional Name: 3-nitrooxy-2-phthalimido-propionic acid methyl ester Formula: C12H10N2O7 MolecularWeight: 294.217

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O7/c1-20-12(17)9(6-21-14(18)19)13-10(15)7-4-2-3-5-8(7)11(13)16/h2-5,9H,6H2,1H3