ethyl 4-ethanoyl-5-methyl-2-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]furan-3-carboxylate

Systemtic Name: ethyl 4-ethanoyl-5-methyl-2-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-acetyl-5-methyl-2-[[2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]furan-3-carboxylate CAS Name: 4-acetyl-5-methyl-2-[[2-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-methyl-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]furan-3-carboxylate Traditional Name: 4-acetyl-2-[[2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetyl]amino]-5-methyl-furan-3-carboxylic acid ethyl ester Formula: C20H17N3O9 MolecularWeight: 443.36368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O9/c1-4-31-20(28)16-15(9(2)24)10(3)32-17(16)21-14(25)8-22-18(26)12-6-5-11(23(29)30)7-13(12)19(22)27/h5-7H,4,8H2,1-3H3,(H,21,25)