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

Systemtic Name: ethyl 3-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 3-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CC=C2Cl)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CC=C2Cl)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O5/c1-4-29-20(26)14-9-13(10-15(11-14)24(27)28)19(25)22-12-18(23(2)3)16-7-5-6-8-17(16)21/h5-11,18H,4,12H2,1-3H3,(H,22,25)