N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)-4-nitro-3-oxidanyl-benzamide

Systemtic Name: N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)-4-nitro-3-oxidanyl-benzamide Openeye Name: 3-hydroxy-N-[2-morpholino-2-(2-thienyl)ethyl]-4-nitro-benzamide CAS Name: 3-hydroxy-N-[2-(4-morpholinyl)-2-thiophen-2-ylethyl]-4-nitrobenzamide IUPAC Name: 3-hydroxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-nitrobenzamide Traditional Name: 3-hydroxy-N-[2-morpholino-2-(2-thienyl)ethyl]-4-nitro-benzamide Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(CNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])O)C3=CC=CS3

Isomeric SMILES

C1COCCN1C(CNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])O)C3=CC=CS3

InChI

InChI=1S/C17H19N3O5S/c21-15-10-12(3-4-13(15)20(23)24)17(22)18-11-14(16-2-1-9-26-16)19-5-7-25-8-6-19/h1-4,9-10,14,21H,5-8,11H2,(H,18,22)