3-(6-bromanyl-3-nitro-quinolin-4-yl)sulfanylpropanoic acid

Systemtic Name: 3-(6-bromanyl-3-nitro-quinolin-4-yl)sulfanylpropanoic acid Openeye Name: 3-[(6-bromo-3-nitro-4-quinolyl)sulfanyl]propanoic acid CAS Name: 3-[(6-bromo-3-nitro-4-quinolinyl)thio]propanoic acid IUPAC Name: 3-(6-bromo-3-nitroquinolin-4-yl)sulfanylpropanoic acid Traditional Name: 3-[(6-bromo-3-nitro-4-quinolyl)thio]propionic acid Formula: C12H9BrN2O4S MolecularWeight: 357.17986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC=C(C(=C2C=C1Br)SCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=NC=C(C(=C2C=C1Br)SCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H9BrN2O4S/c13-7-1-2-9-8(5-7)12(20-4-3-11(16)17)10(6-14-9)15(18)19/h1-2,5-6H,3-4H2,(H,16,17)