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

Systemtic Name: 6-[4-(3,4-dimethoxyphenyl)sulfanylbutoxy]-4,4-dimethyl-7-nitro-1H-3,1-benzoxazin-2-one Openeye Name: 6-[4-(3,4-dimethoxyphenyl)sulfanylbutoxy]-4,4-dimethyl-7-nitro-1H-3,1-benzoxazin-2-one CAS Name: 6-[4-[(3,4-dimethoxyphenyl)thio]butoxy]-4,4-dimethyl-7-nitro-1H-3,1-benzoxazin-2-one IUPAC Name: 6-[4-(3,4-dimethoxyphenyl)sulfanylbutoxy]-4,4-dimethyl-7-nitro-1H-3,1-benzoxazin-2-one Traditional Name: 6-[4-[(3,4-dimethoxyphenyl)thio]butoxy]-4,4-dimethyl-7-nitro-1H-3,1-benzoxazin-2-one Formula: C22H26N2O7S MolecularWeight: 462.51604

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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)OC)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7S/c1-22(2)15-12-19(17(24(26)27)13-16(15)23-21(25)31-22)30-9-5-6-10-32-14-7-8-18(28-3)20(11-14)29-4/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,23,25)