(2-phenyl-1,3-thiazol-4-yl)methyl 4-bromanyl-3-nitro-benzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-bromanyl-3-nitro-benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C17H11BrN2O4S MolecularWeight: 419.24924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H11BrN2O4S/c18-14-7-6-12(8-15(14)20(22)23)17(21)24-9-13-10-25-16(19-13)11-4-2-1-3-5-11/h1-8,10H,9H2