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

Systemtic Name: [2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 4-bromanyl-3-nitro-benzoate Openeye Name: [2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-[(4-chlorophenoxy)methyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl ester Formula: C18H12BrClN2O5S MolecularWeight: 483.72028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1OCC2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H12BrClN2O5S/c19-15-6-1-11(7-16(15)22(24)25)18(23)27-8-13-10-28-17(21-13)9-26-14-4-2-12(20)3-5-14/h1-7,10H,8-9H2