3-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]methoxy]benzoic acid

Systemtic Name: 3-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]methoxy]benzoic acid Openeye Name: 3-[[4-(4-nitrophenyl)thiazol-2-yl]methoxy]benzoic acid CAS Name: 3-[[4-(4-nitrophenyl)-2-thiazolyl]methoxy]benzoic acid IUPAC Name: 3-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]methoxy]benzoic acid Traditional Name: 3-[[4-(4-nitrophenyl)thiazol-2-yl]methoxy]benzoic acid Formula: C17H12N2O5S MolecularWeight: 356.35258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H12N2O5S/c20-17(21)12-2-1-3-14(8-12)24-9-16-18-15(10-25-16)11-4-6-13(7-5-11)19(22)23/h1-8,10H,9H2,(H,20,21)