3-[4-(3-nitrophenyl)-2-oxidanylidene-1,3-thiazol-3-yl]propanoic acid

Systemtic Name: 3-[4-(3-nitrophenyl)-2-oxidanylidene-1,3-thiazol-3-yl]propanoic acid Openeye Name: 3-[4-(3-nitrophenyl)-2-oxo-thiazol-3-yl]propanoic acid CAS Name: 3-[4-(3-nitrophenyl)-2-oxo-3-thiazolyl]propanoic acid IUPAC Name: 3-[4-(3-nitrophenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid Traditional Name: 3-[2-keto-4-(3-nitrophenyl)-4-thiazolin-3-yl]propionic acid Formula: C12H10N2O5S MolecularWeight: 294.2832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=O)N2CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=O)N2CCC(=O)O

InChI

InChI=1S/C12H10N2O5S/c15-11(16)4-5-13-10(7-20-12(13)17)8-2-1-3-9(6-8)14(18)19/h1-3,6-7H,4-5H2,(H,15,16)