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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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