2-[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]amino]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 2-[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]amino]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-anilino]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-anilino]-1-pyrrolidino-propan-1-one Formula: C20H19ClF3N3O4 MolecularWeight: 457.83077

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)NC2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCCC1)NC2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClF3N3O4/c1-12(19(28)26-8-2-3-9-26)25-16-11-14(5-6-17(16)27(29)30)31-18-7-4-13(10-15(18)21)20(22,23)24/h4-7,10-12,25H,2-3,8-9H2,1H3