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

Systemtic Name: 2-[3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]thiazole-4-carboxylic acid CAS Name: 2-[3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[3-methoxy-2-(4-nitrobenzyl)oxy-phenyl]thiazole-4-carboxylic acid Formula: C18H14N2O6S MolecularWeight: 386.37856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=CS3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=CS3)C(=O)O

InChI

InChI=1S/C18H14N2O6S/c1-25-15-4-2-3-13(17-19-14(10-27-17)18(21)22)16(15)26-9-11-5-7-12(8-6-11)20(23)24/h2-8,10H,9H2,1H3,(H,21,22)