2-(4-bromophenyl)-3-methyl-7-nitro-1,4$l^{6}-benzoxathiine 4,4-dioxide

Systemtic Name: 2-(4-bromophenyl)-3-methyl-7-nitro-1,4$l^{6}-benzoxathiine 4,4-dioxide Openeye Name: 2-(4-bromophenyl)-3-methyl-7-nitro-1,4$l^{6}-benzoxathiine 4,4-dioxide CAS Name: 2-(4-bromophenyl)-3-methyl-7-nitro-1,4$l^{6}-benzoxathiin 4,4-dioxide IUPAC Name: 2-(4-bromophenyl)-3-methyl-7-nitro-1,4$l^{6}-benzoxathiine 4,4-dioxide Traditional Name: 2-(4-bromophenyl)-3-methyl-7-nitro-1,4$l^{6}-benzoxathiin 4,4-dioxide Formula: C15H10BrNO5S MolecularWeight: 396.2126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(S1(=O)=O)C=CC(=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(OC2=C(S1(=O)=O)C=CC(=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C15H10BrNO5S/c1-9-15(10-2-4-11(16)5-3-10)22-13-8-12(17(18)19)6-7-14(13)23(9,20)21/h2-8H,1H3