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

Systemtic Name: 4-[2-[(4-chloranyl-2-nitro-phenyl)amino]-4-oxidanylidene-1,3-thiazol-5-yl]butanoic acid Openeye Name: 4-[2-(4-chloro-2-nitro-anilino)-4-oxo-thiazol-5-yl]butanoic acid CAS Name: 4-[2-(4-chloro-2-nitroanilino)-4-oxo-5-thiazolyl]butanoic acid IUPAC Name: 4-[2-(4-chloro-2-nitroanilino)-4-oxo-1,3-thiazol-5-yl]butanoic acid Traditional Name: 4-[2-(4-chloro-2-nitro-anilino)-4-keto-2-thiazolin-5-yl]butyric acid Formula: C13H12ClN3O5S MolecularWeight: 357.76948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O5S/c14-7-4-5-8(9(6-7)17(21)22)15-13-16-12(20)10(23-13)2-1-3-11(18)19/h4-6,10H,1-3H2,(H,18,19)(H,15,16,20)