[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-methoxy-5-nitro-benzoate

Systemtic Name: [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-methoxy-5-nitro-benzoate Openeye Name: [2-(4-chlorophenyl)thiazol-4-yl]methyl 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-(4-chlorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-(4-chlorophenyl)thiazol-4-yl]methyl ester Formula: C18H13ClN2O5S MolecularWeight: 404.82422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H13ClN2O5S/c1-25-16-7-6-14(21(23)24)8-15(16)18(22)26-9-13-10-27-17(20-13)11-2-4-12(19)5-3-11/h2-8,10H,9H2,1H3