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

Systemtic Name: 4-[2-[(2-methoxy-4-nitro-phenyl)amino]-4-oxidanylidene-1,3-thiazol-5-yl]butanoic acid Openeye Name: 4-[2-(2-methoxy-4-nitro-anilino)-4-oxo-thiazol-5-yl]butanoic acid CAS Name: 4-[2-(2-methoxy-4-nitroanilino)-4-oxo-5-thiazolyl]butanoic acid IUPAC Name: 4-[2-(2-methoxy-4-nitroanilino)-4-oxo-1,3-thiazol-5-yl]butanoic acid Traditional Name: 4-[4-keto-2-(2-methoxy-4-nitro-anilino)-2-thiazolin-5-yl]butyric acid Formula: C14H15N3O6S MolecularWeight: 353.3504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC2=NC(=O)C(S2)CCCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC2=NC(=O)C(S2)CCCC(=O)O

InChI

InChI=1S/C14H15N3O6S/c1-23-10-7-8(17(21)22)5-6-9(10)15-14-16-13(20)11(24-14)3-2-4-12(18)19/h5-7,11H,2-4H2,1H3,(H,18,19)(H,15,16,20)