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

Systemtic Name: [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(3-methoxyphenyl)thiazol-4-yl]methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-(3-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-(3-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C18H13BrN2O5S MolecularWeight: 449.27522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrN2O5S/c1-25-14-4-2-3-11(7-14)17-20-13(10-27-17)9-26-18(22)12-5-6-15(19)16(8-12)21(23)24/h2-8,10H,9H2,1H3