[2-[[4-(4-bromophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-[[4-(4-bromophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-[4-(4-bromophenyl)sulfanylanilino]-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-[4-[(4-bromophenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-bromophenyl)sulfanylanilino]-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-[4-[(4-bromophenyl)thio]anilino]-2-keto-ethyl] ester Formula: C19H13BrN2O6S MolecularWeight: 477.28532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])SC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])SC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H13BrN2O6S/c20-12-1-5-14(6-2-12)29-15-7-3-13(4-8-15)21-17(23)11-27-19(24)16-9-10-18(28-16)22(25)26/h1-10H,11H2,(H,21,23)