2-[3-nitro-4-(1,3-thiazol-2-yl)phenyl]propanoic acid

Systemtic Name: 2-[3-nitro-4-(1,3-thiazol-2-yl)phenyl]propanoic acid Openeye Name: 2-(3-nitro-4-thiazol-2-yl-phenyl)propanoic acid CAS Name: 2-[3-nitro-4-(2-thiazolyl)phenyl]propanoic acid IUPAC Name: 2-[3-nitro-4-(1,3-thiazol-2-yl)phenyl]propanoic acid Traditional Name: 2-(3-nitro-4-thiazol-2-yl-phenyl)propionic acid Formula: C12H10N2O4S MolecularWeight: 278.2838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=NC=CS2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=NC=CS2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H10N2O4S/c1-7(12(15)16)8-2-3-9(10(6-8)14(17)18)11-13-4-5-19-11/h2-7H,1H3,(H,15,16)