ethyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-5-nitro-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]amino]-5-nitro-thiophene-3-carboxylate CAS Name: 2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-5-nitrothiophene-3-carboxylate Traditional Name: 5-nitro-2-[(2-phthalimidoacetyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H13N3O7S MolecularWeight: 403.36602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H13N3O7S/c1-2-27-17(24)11-7-13(20(25)26)28-14(11)18-12(21)8-19-15(22)9-5-3-4-6-10(9)16(19)23/h3-7H,2,8H2,1H3,(H,18,21)