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

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (2-oxo-2-ureido-ethyl) 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-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-ureido-ethyl) ester Formula: C14H12N4O8 MolecularWeight: 364.26708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)OCC(=O)NC(=O)N

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)OCC(=O)NC(=O)N

InChI

InChI=1S/C14H12N4O8/c15-14(23)16-9(19)6-26-10(20)4-5-17-12(21)7-2-1-3-8(18(24)25)11(7)13(17)22/h1-3H,4-6H2,(H3,15,16,19,23)