N-[4-[4-[(4,4-dimethyl-7-nitro-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)oxy]butylsulfanyl]phenyl]ethanamide

Systemtic Name: N-[4-[4-[(4,4-dimethyl-7-nitro-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)oxy]butylsulfanyl]phenyl]ethanamide Openeye Name: N-[4-[4-[(4,4-dimethyl-7-nitro-2-oxo-1H-3,1-benzoxazin-6-yl)oxy]butylsulfanyl]phenyl]acetamide CAS Name: N-[4-[4-[(4,4-dimethyl-7-nitro-2-oxo-1H-3,1-benzoxazin-6-yl)oxy]butylthio]phenyl]acetamide IUPAC Name: N-[4-[4-[(4,4-dimethyl-7-nitro-2-oxo-1H-3,1-benzoxazin-6-yl)oxy]butylsulfanyl]phenyl]acetamide Traditional Name: N-[4-[4-[(2-keto-4,4-dimethyl-7-nitro-1H-3,1-benzoxazin-6-yl)oxy]butylthio]phenyl]acetamide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCCCCOC2=C(C=C3C(=C2)C(OC(=O)N3)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCCCCOC2=C(C=C3C(=C2)C(OC(=O)N3)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O6S/c1-14(26)23-15-6-8-16(9-7-15)32-11-5-4-10-30-20-12-17-18(13-19(20)25(28)29)24-21(27)31-22(17,2)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,23,26)(H,24,27)