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

Systemtic Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-methoxy-5-nitro-benzoate Openeye Name: [3-(4-chlorophenyl)isoxazol-5-yl]methyl 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [3-(4-chlorophenyl)-5-isoxazolyl]methyl ester IUPAC Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [3-(4-chlorophenyl)isoxazol-5-yl]methyl ester Formula: C18H13ClN2O6 MolecularWeight: 388.75862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC(=NO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC(=NO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H13ClN2O6/c1-25-17-7-6-13(21(23)24)8-15(17)18(22)26-10-14-9-16(20-27-14)11-2-4-12(19)5-3-11/h2-9H,10H2,1H3