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

Systemtic Name: 2-[4-(4-ethoxy-3-nitro-phenyl)-1,3-thiazol-2-yl]ethanoic acid Openeye Name: 2-[4-(4-ethoxy-3-nitro-phenyl)thiazol-2-yl]acetic acid CAS Name: 2-[4-(4-ethoxy-3-nitrophenyl)-2-thiazolyl]acetic acid IUPAC Name: 2-[4-(4-ethoxy-3-nitrophenyl)-1,3-thiazol-2-yl]acetic acid Traditional Name: 2-[4-(4-ethoxy-3-nitro-phenyl)thiazol-2-yl]acetic acid Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=CSC(=N2)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=CSC(=N2)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O5S/c1-2-20-11-4-3-8(5-10(11)15(18)19)9-7-21-12(14-9)6-13(16)17/h3-5,7H,2,6H2,1H3,(H,16,17)