[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)sulfanyl-3-nitro-benzoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 4-(4-fluorophenyl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-fluorophenyl)thio]-3-nitrobenzoic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(4-fluorophenyl)thio]-3-nitro-benzoic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C20H13ClFN3O5S MolecularWeight: 461.850723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)Cl)NC(=O)COC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)Cl)NC(=O)COC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H13ClFN3O5S/c21-19-15(2-1-9-23-19)24-18(26)11-30-20(27)12-3-8-17(16(10-12)25(28)29)31-14-6-4-13(22)5-7-14/h1-10H,11H2,(H,24,26)