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

Systemtic Name: dimethyl 5-azanyl-3-[3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[3-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[3-(1,3-diketo-4-nitro-isoindolin-2-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H17N3O10S MolecularWeight: 491.42808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(=O)OC)N

InChI

InChI=1S/C20H17N3O10S/c1-31-19(27)14-10(15(20(28)32-2)34-16(14)21)8-33-12(24)6-7-22-17(25)9-4-3-5-11(23(29)30)13(9)18(22)26/h3-5H,6-8,21H2,1-2H3