ethyl 3-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[1-(2-chlorophenyl)ethyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-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)N2CCN(CC2)C(C)C3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(C)C3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClN3O5/c1-3-31-22(28)17-12-16(13-18(14-17)26(29)30)21(27)25-10-8-24(9-11-25)15(2)19-6-4-5-7-20(19)23/h4-7,12-15H,3,8-11H2,1-2H3