2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid 2-phthalimidoethyl ester Formula: C19H12N2O6S MolecularWeight: 396.37338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H12N2O6S/c22-17-13-3-1-2-4-14(13)18(23)20(17)7-8-27-19(24)16-10-11-9-12(21(25)26)5-6-15(11)28-16/h1-6,9-10H,7-8H2