[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid [2-keto-2-(4-methylpiperidino)ethyl] ester Formula: C19H21N3O7 MolecularWeight: 403.38594

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)COC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O7/c1-12-5-8-20(9-6-12)15(23)11-29-16(24)7-10-21-18(25)13-3-2-4-14(22(27)28)17(13)19(21)26/h2-4,12H,5-11H2,1H3