4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 5-nitrothiophene-2-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 5-nitrothiophene-2-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid 4-phthalimidobutyl ester Formula: C17H14N2O6S MolecularWeight: 374.36786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O6S/c20-15-11-5-1-2-6-12(11)16(21)18(15)9-3-4-10-25-17(22)13-7-8-14(26-13)19(23)24/h1-2,5-8H,3-4,9-10H2