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

Systemtic Name: dimethyl 5-azanyl-3-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H13N3O8S MolecularWeight: 419.36542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)OC)N

InChI

InChI=1S/C17H13N3O8S/c1-27-16(23)11-10(12(17(24)28-2)29-13(11)18)6-19-14(21)8-4-3-7(20(25)26)5-9(8)15(19)22/h3-5H,6,18H2,1-2H3