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

Systemtic Name: 2-[5-(cycloheptylcarbamoyl)-3-(4-nitrophenyl)-4H-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[5-(cycloheptylcarbamoyl)-3-(4-nitrophenyl)-4H-isoxazol-5-yl]acetic acid CAS Name: 2-[5-[(cycloheptylamino)-oxomethyl]-3-(4-nitrophenyl)-4H-isoxazol-5-yl]acetic acid IUPAC Name: 2-[5-(cycloheptylcarbamoyl)-3-(4-nitrophenyl)-4H-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[5-(cycloheptylcarbamoyl)-3-(4-nitrophenyl)-2-isoxazolin-5-yl]acetic acid Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6/c23-17(24)12-19(18(25)20-14-5-3-1-2-4-6-14)11-16(21-28-19)13-7-9-15(10-8-13)22(26)27/h7-10,14H,1-6,11-12H2,(H,20,25)(H,23,24)