methyl 3-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H20FN3O5 MolecularWeight: 389.377603

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC)C2=CC(=CC=C2)F

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC)C2=CC(=CC=C2)F

InChI

InChI=1S/C19H20FN3O5/c1-22(2)17(12-5-4-6-15(20)8-12)11-21-18(24)13-7-14(19(25)28-3)10-16(9-13)23(26)27/h4-10,17H,11H2,1-3H3,(H,21,24)