2-iodanyl-4-(6-nitro-1,3-benzothiazol-2-yl)aniline

Systemtic Name: 2-iodanyl-4-(6-nitro-1,3-benzothiazol-2-yl)aniline Openeye Name: 2-iodo-4-(6-nitro-1,3-benzothiazol-2-yl)aniline CAS Name: 2-iodo-4-(6-nitro-1,3-benzothiazol-2-yl)aniline IUPAC Name: 2-iodo-4-(6-nitro-1,3-benzothiazol-2-yl)aniline Traditional Name: [2-iodo-4-(6-nitro-1,3-benzothiazol-2-yl)phenyl]amine Formula: C13H8IN3O2S MolecularWeight: 397.19099

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])I)N

Isomeric SMILES

C1=CC(=C(C=C1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])I)N

InChI

InChI=1S/C13H8IN3O2S/c14-9-5-7(1-3-10(9)15)13-16-11-4-2-8(17(18)19)6-12(11)20-13/h1-6H,15H2