2-(4,5-dimethoxy-2-nitro-phenyl)-1,3-benzothiazole

Systemtic Name: 2-(4,5-dimethoxy-2-nitro-phenyl)-1,3-benzothiazole Openeye Name: 2-(4,5-dimethoxy-2-nitro-phenyl)-1,3-benzothiazole CAS Name: 2-(4,5-dimethoxy-2-nitrophenyl)-1,3-benzothiazole IUPAC Name: 2-(4,5-dimethoxy-2-nitrophenyl)-1,3-benzothiazole Traditional Name: 2-(4,5-dimethoxy-2-nitro-phenyl)-1,3-benzothiazole Formula: C15H12N2O4S MolecularWeight: 316.33178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2=NC3=CC=CC=C3S2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C2=NC3=CC=CC=C3S2)[N+](=O)[O-])OC

InChI

InChI=1S/C15H12N2O4S/c1-20-12-7-9(11(17(18)19)8-13(12)21-2)15-16-10-5-3-4-6-14(10)22-15/h3-8H,1-2H3