2-(6-bromanyl-3-nitro-quinolin-4-yl)sulfanylpropanoic acid

Systemtic Name: 2-(6-bromanyl-3-nitro-quinolin-4-yl)sulfanylpropanoic acid Openeye Name: 2-[(6-bromo-3-nitro-4-quinolyl)sulfanyl]propanoic acid CAS Name: 2-[(6-bromo-3-nitro-4-quinolinyl)thio]propanoic acid IUPAC Name: 2-(6-bromo-3-nitroquinolin-4-yl)sulfanylpropanoic acid Traditional Name: 2-[(6-bromo-3-nitro-4-quinolyl)thio]propionic acid Formula: C12H9BrN2O4S MolecularWeight: 357.17986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C2C=C(C=CC2=NC=C1[N+](=O)[O-])Br

Isomeric SMILES

CC(C(=O)O)SC1=C2C=C(C=CC2=NC=C1[N+](=O)[O-])Br

InChI

InChI=1S/C12H9BrN2O4S/c1-6(12(16)17)20-11-8-4-7(13)2-3-9(8)14-5-10(11)15(18)19/h2-6H,1H3,(H,16,17)