5-cyclopropyl-4-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-cyclopropyl-4-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-1,2-oxazole-3-carboxylic acid Openeye Name: 5-cyclopropyl-4-(4-methylsulfonyl-2-nitro-benzoyl)isoxazole-3-carboxylic acid CAS Name: 5-cyclopropyl-4-[(4-methylsulfonyl-2-nitrophenyl)-oxomethyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-cyclopropyl-4-(4-methylsulfonyl-2-nitrobenzoyl)-1,2-oxazole-3-carboxylic acid Traditional Name: 5-cyclopropyl-4-(4-mesyl-2-nitro-benzoyl)isoxazole-3-carboxylic acid Formula: C15H12N2O8S MolecularWeight: 380.32938

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2=C(ON=C2C(=O)O)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2=C(ON=C2C(=O)O)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O8S/c1-26(23,24)8-4-5-9(10(6-8)17(21)22)13(18)11-12(15(19)20)16-25-14(11)7-2-3-7/h4-7H,2-3H2,1H3,(H,19,20)