[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 5-nitrothiophene-2-carboxylate Openeye Name: [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl ester Formula: C16H11FN2O5S MolecularWeight: 362.332343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1COC(=O)C2=CC=C(S2)[N+](=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(ON=C1COC(=O)C2=CC=C(S2)[N+](=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C16H11FN2O5S/c1-9-12(18-24-15(9)10-2-4-11(17)5-3-10)8-23-16(20)13-6-7-14(25-13)19(21)22/h2-7H,8H2,1H3