2-[4-(4-methoxy-3-nitro-phenyl)-1,3-thiazol-2-yl]ethanamine

Systemtic Name: 2-[4-(4-methoxy-3-nitro-phenyl)-1,3-thiazol-2-yl]ethanamine Openeye Name: 2-[4-(4-methoxy-3-nitro-phenyl)thiazol-2-yl]ethanamine CAS Name: 2-[4-(4-methoxy-3-nitrophenyl)-2-thiazolyl]ethanamine IUPAC Name: 2-[4-(4-methoxy-3-nitrophenyl)-1,3-thiazol-2-yl]ethanamine Traditional Name: 2-[4-(4-methoxy-3-nitro-phenyl)thiazol-2-yl]ethylamine Formula: C12H13N3O3S MolecularWeight: 279.31492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)CCN)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)CCN)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3S/c1-18-11-3-2-8(6-10(11)15(16)17)9-7-19-12(14-9)4-5-13/h2-3,6-7H,4-5,13H2,1H3