2-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]-5-nitro-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]-5-nitro-1,3-benzothiazole Openeye Name: 2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-5-nitro-1,3-benzothiazole CAS Name: 2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-5-nitro-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-5-nitro-1,3-benzothiazole Traditional Name: 2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-5-nitro-1,3-benzothiazole Formula: C16H9BrN2O4S MolecularWeight: 405.22266

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C16H9BrN2O4S/c17-11-7-14-13(22-8-23-14)5-9(11)1-4-16-18-12-6-10(19(20)21)2-3-15(12)24-16/h1-7H,8H2/b4-1+