2-[[2-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazolidin-3-yl]carbonyl]-6-nitro-benzoic acid

Systemtic Name: 2-[[2-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazolidin-3-yl]carbonyl]-6-nitro-benzoic acid Openeye Name: 2-[2-(3-bromo-4-methoxy-phenyl)thiazolidine-3-carbonyl]-6-nitro-benzoic acid CAS Name: 2-[[2-(3-bromo-4-methoxyphenyl)-3-thiazolidinyl]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]-6-nitrobenzoic acid Traditional Name: 2-[2-(3-bromo-4-methoxy-phenyl)thiazolidine-3-carbonyl]-6-nitro-benzoic acid Formula: C18H15BrN2O6S MolecularWeight: 467.2905

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2N(CCS2)C(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2N(CCS2)C(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O)Br

InChI

InChI=1S/C18H15BrN2O6S/c1-27-14-6-5-10(9-12(14)19)17-20(7-8-28-17)16(22)11-3-2-4-13(21(25)26)15(11)18(23)24/h2-6,9,17H,7-8H2,1H3,(H,23,24)