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

Systemtic Name: N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine Openeye Name: N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine CAS Name: N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine IUPAC Name: N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine Traditional Name: [4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-[(6-nitro-1,3-benzodioxol-5-yl)methylene]amine Formula: C22H15N3O4S MolecularWeight: 417.4372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C22H15N3O4S/c1-13-2-7-21-17(8-13)24-22(30-21)14-3-5-16(6-4-14)23-11-15-9-19-20(29-12-28-19)10-18(15)25(26)27/h2-11H,12H2,1H3