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

Systemtic Name: 2-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 2-[2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethoxy]benzoic acid CAS Name: 2-[2-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-2-oxoethoxy]benzoic acid IUPAC Name: 2-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethoxy]benzoic acid Traditional Name: 2-[2-keto-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]ethoxy]benzoic acid Formula: C18H13N3O6S MolecularWeight: 399.37732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)OCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)OCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O6S/c22-16(9-27-15-7-2-1-6-13(15)17(23)24)20-18-19-14(10-28-18)11-4-3-5-12(8-11)21(25)26/h1-8,10H,9H2,(H,23,24)(H,19,20,22)