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

Systemtic Name: methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(1-nitrocyclohexyl)propanoate Openeye Name: methyl 2-(1,3-dioxoisoindolin-2-yl)-3-(1-nitrocyclohexyl)propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-(1-nitrocyclohexyl)propanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dioxoisoindol-2-yl)-3-(1-nitrocyclohexyl)propanoate Traditional Name: 3-(1-nitrocyclohexyl)-2-phthalimido-propionic acid methyl ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1(CCCCC1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C(CC1(CCCCC1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H20N2O6/c1-26-17(23)14(11-18(20(24)25)9-5-2-6-10-18)19-15(21)12-7-3-4-8-13(12)16(19)22/h3-4,7-8,14H,2,5-6,9-11H2,1H3