ethyl N-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]carbamate

Systemtic Name: ethyl N-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]carbamate Openeye Name: ethyl N-[2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]carbamate CAS Name: N-[2-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]carbamate Traditional Name: N-[2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetyl]carbamic acid ethyl ester Formula: C13H11N3O7 MolecularWeight: 321.24234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)NC(=O)CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O7/c1-2-23-13(20)14-10(17)6-15-11(18)8-4-3-7(16(21)22)5-9(8)12(15)19/h3-5H,2,6H2,1H3,(H,14,17,20)