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

Systemtic Name: [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 3-nitrobenzoate Openeye Name: [2-(4-chlorophenyl)thiazol-4-yl]methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(4-chlorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 3-nitrobenzoate Traditional Name: 3-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(=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

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