ethyl 5-cyclopropyl-4-(3-methylsulfonyl-2-nitro-phenyl)carbonyl-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-cyclopropyl-4-(3-methylsulfonyl-2-nitro-phenyl)carbonyl-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-cyclopropyl-4-(3-methylsulfonyl-2-nitro-benzoyl)isoxazole-3-carboxylate CAS Name: 5-cyclopropyl-4-[(3-methylsulfonyl-2-nitrophenyl)-oxomethyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyclopropyl-4-(3-methylsulfonyl-2-nitrobenzoyl)-1,2-oxazole-3-carboxylate Traditional Name: 5-cyclopropyl-4-(3-mesyl-2-nitro-benzoyl)isoxazole-3-carboxylic acid ethyl ester Formula: C17H16N2O8S MolecularWeight: 408.38254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1C(=O)C2=C(C(=CC=C2)S(=O)(=O)C)[N+](=O)[O-])C3CC3

Isomeric SMILES

CCOC(=O)C1=NOC(=C1C(=O)C2=C(C(=CC=C2)S(=O)(=O)C)[N+](=O)[O-])C3CC3

InChI

InChI=1S/C17H16N2O8S/c1-3-26-17(21)13-12(16(27-18-13)9-7-8-9)15(20)10-5-4-6-11(28(2,24)25)14(10)19(22)23/h4-6,9H,3,7-8H2,1-2H3