2-[3-[(4-nitrophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[3-[(4-nitrophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[3-[(4-nitrophenyl)methoxy]phenyl]thiazole-4-carboxylic acid CAS Name: 2-[3-[(4-nitrophenyl)methoxy]phenyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[3-[(4-nitrophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[3-(4-nitrobenzyl)oxyphenyl]thiazole-4-carboxylic acid Formula: C17H12N2O5S MolecularWeight: 356.35258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=CS3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=CS3)C(=O)O

InChI

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