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

Systemtic Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl ester Formula: C20H18FN3O6 MolecularWeight: 415.371823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(ON=C1COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FN3O6/c1-12-18(23-30-19(12)13-2-4-14(21)5-3-13)11-29-20(26)16-10-15(24(27)28)6-7-17(16)22-8-9-25/h2-7,10,22,25H,8-9,11H2,1H3