3-[[(2R)-4-chloranyl-2-(4-nitrophenyl)carbonyloxy-5-oxidanylidene-2H-furan-3-yl]amino]benzoic acid

Systemtic Name: 3-[[(2R)-4-chloranyl-2-(4-nitrophenyl)carbonyloxy-5-oxidanylidene-2H-furan-3-yl]amino]benzoic acid Openeye Name: 3-[[(2R)-4-chloro-2-(4-nitrobenzoyl)oxy-5-oxo-2H-furan-3-yl]amino]benzoic acid CAS Name: 3-[[(2R)-4-chloro-2-[(4-nitrophenyl)-oxomethoxy]-5-oxo-2H-furan-3-yl]amino]benzoic acid IUPAC Name: 3-[[(2R)-4-chloro-2-(4-nitrobenzoyl)oxy-5-oxo-2H-furan-3-yl]amino]benzoic acid Traditional Name: 3-[[(2R)-4-chloro-5-keto-2-(4-nitrobenzoyl)oxy-2H-furan-3-yl]amino]benzoic acid Formula: C18H11ClN2O8 MolecularWeight: 418.74154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C(=O)OC2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C(=O)O[C@H]2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C18H11ClN2O8/c19-13-14(20-11-3-1-2-10(8-11)15(22)23)18(29-17(13)25)28-16(24)9-4-6-12(7-5-9)21(26)27/h1-8,18,20H,(H,22,23)/t18-/m1/s1