3-(2,4-dichlorophenyl)-4-(3-methyl-4-nitro-1,2-oxazol-5-yl)butanoic acid

Systemtic Name: 3-(2,4-dichlorophenyl)-4-(3-methyl-4-nitro-1,2-oxazol-5-yl)butanoic acid Openeye Name: 3-(2,4-dichlorophenyl)-4-(3-methyl-4-nitro-isoxazol-5-yl)butanoic acid CAS Name: 3-(2,4-dichlorophenyl)-4-(3-methyl-4-nitro-5-isoxazolyl)butanoic acid IUPAC Name: 3-(2,4-dichlorophenyl)-4-(3-methyl-4-nitro-1,2-oxazol-5-yl)butanoic acid Traditional Name: 3-(2,4-dichlorophenyl)-4-(3-methyl-4-nitro-isoxazol-5-yl)butyric acid Formula: C14H12Cl2N2O5 MolecularWeight: 359.16148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1[N+](=O)[O-])CC(CC(=O)O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=NOC(=C1[N+](=O)[O-])CC(CC(=O)O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H12Cl2N2O5/c1-7-14(18(21)22)12(23-17-7)4-8(5-13(19)20)10-3-2-9(15)6-11(10)16/h2-3,6,8H,4-5H2,1H3,(H,19,20)