[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 4-methyl-3-nitro-benzoate

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 4-methyl-3-nitro-benzoate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C19H15BrN2O5S MolecularWeight: 463.3018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=C(C=CC(=C3)Br)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=C(C=CC(=C3)Br)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H15BrN2O5S/c1-11-3-4-12(7-16(11)22(24)25)19(23)27-9-14-10-28-18(21-14)15-8-13(20)5-6-17(15)26-2/h3-8,10H,9H2,1-2H3