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

Systemtic Name: 4-[2-[(4-nitrophenyl)amino]-4-oxidanylidene-1,3-thiazol-5-yl]butanoic acid Openeye Name: 4-[2-(4-nitroanilino)-4-oxo-thiazol-5-yl]butanoic acid CAS Name: 4-[2-(4-nitroanilino)-4-oxo-5-thiazolyl]butanoic acid IUPAC Name: 4-[2-(4-nitroanilino)-4-oxo-1,3-thiazol-5-yl]butanoic acid Traditional Name: 4-[4-keto-2-(4-nitroanilino)-2-thiazolin-5-yl]butyric acid Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=O)C(S2)CCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=O)C(S2)CCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5S/c17-11(18)3-1-2-10-12(19)15-13(22-10)14-8-4-6-9(7-5-8)16(20)21/h4-7,10H,1-3H2,(H,17,18)(H,14,15,19)