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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-nitro-aniline Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-nitro-aniline CAS Name: 2-(1,3-benzothiazol-2-yl)-4-nitroaniline IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-nitroaniline Traditional Name: [2-(1,3-benzothiazol-2-yl)-4-nitro-phenyl]amine Formula: C13H9N3O2S MolecularWeight: 271.29446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C13H9N3O2S/c14-10-6-5-8(16(17)18)7-9(10)13-15-11-3-1-2-4-12(11)19-13/h1-7H,14H2