2-[(5R)-5-(cycloheptylcarbamoyl)-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]ethanoate

Systemtic Name: 2-[(5R)-5-(cycloheptylcarbamoyl)-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]ethanoate Openeye Name: 2-[(5R)-5-(cycloheptylcarbamoyl)-3-(3-nitrophenyl)-4H-isoxazol-5-yl]acetate CAS Name: 2-[(5R)-5-[(cycloheptylamino)-oxomethyl]-3-(3-nitrophenyl)-4H-isoxazol-5-yl]acetate IUPAC Name: 2-[(5R)-5-(cycloheptylcarbamoyl)-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]acetate Traditional Name: 2-[(5R)-5-(cycloheptylcarbamoyl)-3-(3-nitrophenyl)-2-isoxazolin-5-yl]acetate Formula: C19H22N3O6- MolecularWeight: 388.39448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2(CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])CC(=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC(=O)[C@@]2(CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C19H23N3O6/c23-17(24)12-19(18(25)20-14-7-3-1-2-4-8-14)11-16(21-28-19)13-6-5-9-15(10-13)22(26)27/h5-6,9-10,14H,1-4,7-8,11-12H2,(H,20,25)(H,23,24)/p-1/t19-/m1/s1