[2-[(2-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-[(2-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-(2-chloro-4-fluoro-anilino)-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-(2-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H19ClFN3O5 MolecularWeight: 435.833363

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClFN3O5/c21-15-11-14(22)5-6-16(15)23-19(26)12-30-20(27)13-4-7-17(18(10-13)25(28)29)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9,12H2,(H,23,26)