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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O8/c1-3-18-17(26)19-14(23)9(2)29-12(22)7-8-20-15(24)10-5-4-6-11(21(27)28)13(10)16(20)25/h4-6,9H,3,7-8H2,1-2H3,(H2,18,19,23,26)