methyl 2-(2-nitrothiophen-3-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: methyl 2-(2-nitrothiophen-3-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: methyl 2-(2-nitro-3-thienyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2-nitro-3-thiophenyl)-1,3-dioxo-5-isoindolecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-nitrothiophen-3-yl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(2-nitro-3-thienyl)isoindoline-5-carboxylic acid methyl ester Formula: C14H8N2O6S MolecularWeight: 332.28812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=C(SC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=C(SC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H8N2O6S/c1-22-14(19)7-2-3-8-9(6-7)12(18)15(11(8)17)10-4-5-23-13(10)16(20)21/h2-6H,1H3