ethyl 3-[[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(2-chlorophenyl)-2-(1-pyrrolidinyl)ethyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(2-chlorophenyl)-2-pyrrolidino-ethyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H24ClN3O5 MolecularWeight: 445.89606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CC=C2Cl)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CC=C2Cl)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClN3O5/c1-2-31-22(28)16-11-15(12-17(13-16)26(29)30)21(27)24-14-20(25-9-5-6-10-25)18-7-3-4-8-19(18)23/h3-4,7-8,11-13,20H,2,5-6,9-10,14H2,1H3,(H,24,27)