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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-(isopropylcarbamoylamino)-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-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H18N4O8 MolecularWeight: 406.34682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)CCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)CCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O8/c1-9(2)18-17(26)19-12(22)8-29-13(23)6-7-20-15(24)10-4-3-5-11(21(27)28)14(10)16(20)25/h3-5,9H,6-8H2,1-2H3,(H2,18,19,22,26)