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

Systemtic Name: 4-methyl-2-[3-(5-nitro-1,3-thiazol-2-yl)phenyl]pentanoic acid Openeye Name: 4-methyl-2-[3-(5-nitrothiazol-2-yl)phenyl]pentanoic acid CAS Name: 4-methyl-2-[3-(5-nitro-2-thiazolyl)phenyl]pentanoic acid IUPAC Name: 4-methyl-2-[3-(5-nitro-1,3-thiazol-2-yl)phenyl]pentanoic acid Traditional Name: 4-methyl-2-[3-(5-nitrothiazol-2-yl)phenyl]valeric acid Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=NC=C(S2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=NC=C(S2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H16N2O4S/c1-9(2)6-12(15(18)19)10-4-3-5-11(7-10)14-16-8-13(22-14)17(20)21/h3-5,7-9,12H,6H2,1-2H3,(H,18,19)