[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-keto-ethyl] ester Formula: C15H10ClF3N4O5 MolecularWeight: 418.71191

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C15H10ClF3N4O5/c16-9-4-8(15(17,18)19)5-21-13(9)22-12(24)6-28-14(25)7-1-2-10(20)11(3-7)23(26)27/h1-5H,6,20H2,(H,21,22,24)