6-[4-(4-chlorophenyl)sulfanylbutoxy]-4,4-dimethyl-7-nitro-1H-3,1-benzoxazin-2-one

Systemtic Name: 6-[4-(4-chlorophenyl)sulfanylbutoxy]-4,4-dimethyl-7-nitro-1H-3,1-benzoxazin-2-one Openeye Name: 6-[4-(4-chlorophenyl)sulfanylbutoxy]-4,4-dimethyl-7-nitro-1H-3,1-benzoxazin-2-one CAS Name: 6-[4-[(4-chlorophenyl)thio]butoxy]-4,4-dimethyl-7-nitro-1H-3,1-benzoxazin-2-one IUPAC Name: 6-[4-(4-chlorophenyl)sulfanylbutoxy]-4,4-dimethyl-7-nitro-1H-3,1-benzoxazin-2-one Traditional Name: 6-[4-[(4-chlorophenyl)thio]butoxy]-4,4-dimethyl-7-nitro-1H-3,1-benzoxazin-2-one Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=C(C=C2NC(=O)O1)[N+](=O)[O-])OCCCCSC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1(C2=CC(=C(C=C2NC(=O)O1)[N+](=O)[O-])OCCCCSC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H21ClN2O5S/c1-20(2)15-11-18(17(23(25)26)12-16(15)22-19(24)28-20)27-9-3-4-10-29-14-7-5-13(21)6-8-14/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,24)