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

Systemtic Name: dimethyl 3-methyl-5-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H15N3O9S MolecularWeight: 461.4021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H15N3O9S/c1-8-13(18(26)30-2)15(32-14(8)19(27)31-3)20-12(23)7-21-16(24)10-5-4-9(22(28)29)6-11(10)17(21)25/h4-6H,7H2,1-3H3,(H,20,23)