methyl 5-[(2,4-dinitrophenyl)sulfinylmethyl]-2-methyl-3-phenyl-3H-1,2-oxazole-4-carboxylate

Systemtic Name: methyl 5-[(2,4-dinitrophenyl)sulfinylmethyl]-2-methyl-3-phenyl-3H-1,2-oxazole-4-carboxylate Openeye Name: methyl 5-[(2,4-dinitrophenyl)sulfinylmethyl]-2-methyl-3-phenyl-3H-isoxazole-4-carboxylate CAS Name: 5-[(2,4-dinitrophenyl)sulfinylmethyl]-2-methyl-3-phenyl-3H-isoxazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2,4-dinitrophenyl)sulfinylmethyl]-2-methyl-3-phenyl-3H-1,2-oxazole-4-carboxylate Traditional Name: 5-[(2,4-dinitrophenyl)sulfinylmethyl]-2-methyl-3-phenyl-4-isoxazoline-4-carboxylic acid methyl ester Formula: C19H17N3O8S MolecularWeight: 447.41858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=C(O1)CS(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN1C(C(=C(O1)CS(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O8S/c1-20-18(12-6-4-3-5-7-12)17(19(23)29-2)15(30-20)11-31(28)16-9-8-13(21(24)25)10-14(16)22(26)27/h3-10,18H,11H2,1-2H3