[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-nitrobenzoate

Systemtic Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-nitrobenzoate Openeye Name: [3-(4-chlorophenyl)isoxazol-5-yl]methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [3-(4-chlorophenyl)-5-isoxazolyl]methyl ester IUPAC Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [3-(4-chlorophenyl)isoxazol-5-yl]methyl ester Formula: C17H11ClN2O5 MolecularWeight: 358.73264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN2O5/c18-12-7-5-11(6-8-12)15-9-13(25-19-15)10-24-17(21)14-3-1-2-4-16(14)20(22)23/h1-9H,10H2