[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-nitrobenzoate

Systemtic Name: [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-nitrobenzoate Openeye Name: [2-(4-chlorophenyl)thiazol-4-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(4-chlorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(4-chlorophenyl)thiazol-4-yl]methyl ester Formula: C17H11ClN2O4S MolecularWeight: 374.79824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=CS2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=CS2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H11ClN2O4S/c18-13-5-1-11(2-6-13)16-19-14(10-25-16)9-24-17(21)12-3-7-15(8-4-12)20(22)23/h1-8,10H,9H2