[2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 4-methoxy-3-nitro-benzoate

Systemtic Name: [2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 4-methoxy-3-nitro-benzoate Openeye Name: [2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-[(4-chlorophenoxy)methyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl ester Formula: C19H15ClN2O6S MolecularWeight: 434.8502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)COC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)COC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H15ClN2O6S/c1-26-17-7-2-12(8-16(17)22(24)25)19(23)28-9-14-11-29-18(21-14)10-27-15-5-3-13(20)4-6-15/h2-8,11H,9-10H2,1H3