2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(3-nitrophenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(3-nitrophenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(3-nitrophenyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(3-nitrophenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(3-nitrophenyl)acetamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3S/c21-17(18-13-5-3-6-14(11-13)20(22)23)12-19-9-4-10-24-16-8-2-1-7-15(16)19/h1-3,5-8,11H,4,9-10,12H2,(H,18,21)