4-[[4-(furan-2-ylsulfanyl)-3-nitro-phenyl]methylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[4-(furan-2-ylsulfanyl)-3-nitro-phenyl]methylamino]-2-oxidanyl-benzoic acid Openeye Name: 4-[[4-(2-furylsulfanyl)-3-nitro-phenyl]methylamino]-2-hydroxy-benzoic acid CAS Name: 4-[[4-(2-furanylthio)-3-nitrophenyl]methylamino]-2-hydroxybenzoic acid IUPAC Name: 4-[[4-(furan-2-ylsulfanyl)-3-nitrophenyl]methylamino]-2-hydroxybenzoic acid Traditional Name: 4-[[4-(2-furylthio)-3-nitro-benzyl]amino]-2-hydroxy-benzoic acid Formula: C18H14N2O6S MolecularWeight: 386.37856

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)SC2=C(C=C(C=C2)CNC3=CC(=C(C=C3)C(=O)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)SC2=C(C=C(C=C2)CNC3=CC(=C(C=C3)C(=O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O6S/c21-15-9-12(4-5-13(15)18(22)23)19-10-11-3-6-16(14(8-11)20(24)25)27-17-2-1-7-26-17/h1-9,19,21H,10H2,(H,22,23)