2-[5-(cyclohexylcarbamoyl)-3-(4-nitrophenyl)-4H-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-[5-(cyclohexylcarbamoyl)-3-(4-nitrophenyl)-4H-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[5-(cyclohexylcarbamoyl)-3-(4-nitrophenyl)-4H-isoxazol-5-yl]acetic acid CAS Name: 2-[5-[(cyclohexylamino)-oxomethyl]-3-(4-nitrophenyl)-4H-isoxazol-5-yl]acetic acid IUPAC Name: 2-[5-(cyclohexylcarbamoyl)-3-(4-nitrophenyl)-4H-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[5-(cyclohexylcarbamoyl)-3-(4-nitrophenyl)-2-isoxazolin-5-yl]acetic acid Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2(CC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)C2(CC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C18H21N3O6/c22-16(23)11-18(17(24)19-13-4-2-1-3-5-13)10-15(20-27-18)12-6-8-14(9-7-12)21(25)26/h6-9,13H,1-5,10-11H2,(H,19,24)(H,22,23)