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

Systemtic Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [3-(4-chlorophenyl)isoxazol-5-yl]methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [3-(4-chlorophenyl)-5-isoxazolyl]methyl ester IUPAC Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [3-(4-chlorophenyl)isoxazol-5-yl]methyl ester Formula: C19H16ClN3O6 MolecularWeight: 417.79984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NOC(=C2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NOC(=C2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO)Cl

InChI

InChI=1S/C19H16ClN3O6/c20-13-3-1-12(2-4-13)18-10-15(29-22-18)11-28-19(25)16-9-14(23(26)27)5-6-17(16)21-7-8-24/h1-6,9-10,21,24H,7-8,11H2