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

Systemtic Name: [4-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-nitro-butan-2-yl] ethanoate Openeye Name: [3-(1,3-dioxoisoindolin-2-yl)-1-(nitromethyl)propyl] acetate CAS Name: acetic acid [4-(1,3-dioxo-2-isoindolyl)-1-nitrobutan-2-yl] ester IUPAC Name: [4-(1,3-dioxoisoindol-2-yl)-1-nitrobutan-2-yl] acetate Traditional Name: acetic acid [1-(nitromethyl)-3-phthalimido-propyl] ester Formula: C14H14N2O6 MolecularWeight: 306.27076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCN1C(=O)C2=CC=CC=C2C1=O)C[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC(CCN1C(=O)C2=CC=CC=C2C1=O)C[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O6/c1-9(17)22-10(8-16(20)21)6-7-15-13(18)11-4-2-3-5-12(11)14(15)19/h2-5,10H,6-8H2,1H3