2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]ethanamide

Systemtic Name: 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]ethanamide Openeye Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[5-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide IUPAC Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-[5-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide Formula: C21H21N5O6S MolecularWeight: 471.48634

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)NCCCCCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)NCCCCCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C21H21N5O6S/c27-18(12-25-15-11-14(26(29)30)7-8-16(15)31-13-20(25)28)22-9-3-1-2-6-19-23-21(24-32-19)17-5-4-10-33-17/h4-5,7-8,10-11H,1-3,6,9,12-13H2,(H,22,27)