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

Systemtic Name: methyl 3-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H20ClN3O5 MolecularWeight: 405.8322

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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=C2Cl

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC)C2=CC=CC=C2Cl

InChI

InChI=1S/C19H20ClN3O5/c1-22(2)17(15-6-4-5-7-16(15)20)11-21-18(24)12-8-13(19(25)28-3)10-14(9-12)23(26)27/h4-10,17H,11H2,1-3H3,(H,21,24)