2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-nitro-isoindoline-1,3-quinone Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1SC=C2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=C1SC=C2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4S/c20-15-12-2-1-11(19(22)23)7-13(12)16(21)18(15)9-17-5-3-14-10(8-17)4-6-24-14/h1-2,4,6-7H,3,5,8-9H2