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

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)carbonyl-5-cyclopropyl-1,2-oxazole-3-carboxylic acid Openeye Name: 4-(4-chloro-2-nitro-benzoyl)-5-cyclopropyl-isoxazole-3-carboxylic acid CAS Name: 4-[(4-chloro-2-nitrophenyl)-oxomethyl]-5-cyclopropyl-3-isoxazolecarboxylic acid IUPAC Name: 4-(4-chloro-2-nitrobenzoyl)-5-cyclopropyl-1,2-oxazole-3-carboxylic acid Traditional Name: 4-(4-chloro-2-nitro-benzoyl)-5-cyclopropyl-isoxazole-3-carboxylic acid Formula: C14H9ClN2O6 MolecularWeight: 336.68406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=NO2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=C(C(=NO2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H9ClN2O6/c15-7-3-4-8(9(5-7)17(21)22)12(18)10-11(14(19)20)16-23-13(10)6-1-2-6/h3-6H,1-2H2,(H,19,20)