2-[ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]-N-(2-thienylmethyl)acetamide CAS Name: 2-[ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]-N-(2-thenyl)acetamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)CC(=O)NCC3=CC=CS3

Isomeric SMILES

CCN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C18H21N3O5S/c1-2-20(10-17(22)19-8-16-4-3-5-27-16)9-13-6-15(21(23)24)7-14-11-25-12-26-18(13)14/h3-7H,2,8-12H2,1H3,(H,19,22)