4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-nitro-benzoic acid

Systemtic Name: 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-nitro-benzoic acid Openeye Name: 4-[2-(4-methylthiazol-5-yl)ethoxy]-3-nitro-benzoic acid CAS Name: 4-[2-(4-methyl-5-thiazolyl)ethoxy]-3-nitrobenzoic acid IUPAC Name: 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-nitrobenzoic acid Traditional Name: 4-[2-(4-methylthiazol-5-yl)ethoxy]-3-nitro-benzoic acid Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCOC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC=N1)CCOC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O5S/c1-8-12(21-7-14-8)4-5-20-11-3-2-9(13(16)17)6-10(11)15(18)19/h2-3,6-7H,4-5H2,1H3,(H,16,17)