5-[4-(4-nitrophenyl)phenyl]-1,3-oxazole; 2-sulfanylpropanoic acid

Systemtic Name: 5-[4-(4-nitrophenyl)phenyl]-1,3-oxazole; 2-sulfanylpropanoic acid Openeye Name: 5-[4-(4-nitrophenyl)phenyl]oxazole; 2-sulfanylpropanoic acid CAS Name: 2-mercaptopropanoic acid; 5-[4-(4-nitrophenyl)phenyl]oxazole IUPAC Name: 5-[4-(4-nitrophenyl)phenyl]-1,3-oxazole; 2-sulfanylpropanoic acid Traditional Name: 2-mercaptopropionic acid; 5-[4-(4-nitrophenyl)phenyl]oxazole Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)S.C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CO3

Isomeric SMILES

CC(C(=O)O)S.C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CO3

InChI

InChI=1S/C15H10N2O3.C3H6O2S/c18-17(19)14-7-5-12(6-8-14)11-1-3-13(4-2-11)15-9-16-10-20-15;1-2(6)3(4)5/h1-10H;2,6H,1H3,(H,4,5)