N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine Traditional Name: [4-(1,3-benzothiazol-2-yl)phenyl]-[(6-nitro-1,3-benzodioxol-5-yl)methylene]amine Formula: C21H13N3O4S MolecularWeight: 403.41062

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C=NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O4S/c25-24(26)17-10-19-18(27-12-28-19)9-14(17)11-22-15-7-5-13(6-8-15)21-23-16-3-1-2-4-20(16)29-21/h1-11H,12H2