6-[2-[(4-chloranyl-2-nitro-phenyl)amino]-4-oxidanylidene-1,3-thiazol-5-yl]hexanoic acid

Systemtic Name: 6-[2-[(4-chloranyl-2-nitro-phenyl)amino]-4-oxidanylidene-1,3-thiazol-5-yl]hexanoic acid Openeye Name: 6-[2-(4-chloro-2-nitro-anilino)-4-oxo-thiazol-5-yl]hexanoic acid CAS Name: 6-[2-(4-chloro-2-nitroanilino)-4-oxo-5-thiazolyl]hexanoic acid IUPAC Name: 6-[2-(4-chloro-2-nitroanilino)-4-oxo-1,3-thiazol-5-yl]hexanoic acid Traditional Name: 6-[2-(4-chloro-2-nitro-anilino)-4-keto-2-thiazolin-5-yl]hexanoic acid Formula: C15H16ClN3O5S MolecularWeight: 385.82264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)[N+](=O)[O-])NC2=NC(=O)C(S2)CCCCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)[N+](=O)[O-])NC2=NC(=O)C(S2)CCCCCC(=O)O

InChI

InChI=1S/C15H16ClN3O5S/c16-9-6-7-10(11(8-9)19(23)24)17-15-18-14(22)12(25-15)4-2-1-3-5-13(20)21/h6-8,12H,1-5H2,(H,20,21)(H,17,18,22)