ethyl 4,5-dimethyl-2-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H17N3O7S MolecularWeight: 431.41918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O7S/c1-4-29-19(26)14-9(2)10(3)30-16(14)20-13(23)8-21-17(24)11-6-5-7-12(22(27)28)15(11)18(21)25/h5-7H,4,8H2,1-3H3,(H,20,23)