4-(3-bromophenyl)-2-(3-nitropyridin-2-yl)sulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3-bromophenyl)-2-(3-nitropyridin-2-yl)sulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-bromophenyl)-2-[(3-nitro-2-pyridyl)sulfanyl]-4-oxo-butanoic acid CAS Name: 4-(3-bromophenyl)-2-[(3-nitro-2-pyridinyl)thio]-4-oxobutanoic acid IUPAC Name: 4-(3-bromophenyl)-2-(3-nitropyridin-2-yl)sulfanyl-4-oxobutanoic acid Traditional Name: 4-(3-bromophenyl)-4-keto-2-[(3-nitro-2-pyridyl)thio]butyric acid Formula: C15H11BrN2O5S MolecularWeight: 411.22724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)CC(C(=O)O)SC2=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)CC(C(=O)O)SC2=C(C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C15H11BrN2O5S/c16-10-4-1-3-9(7-10)12(19)8-13(15(20)21)24-14-11(18(22)23)5-2-6-17-14/h1-7,13H,8H2,(H,20,21)