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

Systemtic Name: ethyl 3-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C22H24ClN3O6 MolecularWeight: 461.89546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClN3O6/c1-2-31-22(28)17-13-16(14-19(15-17)26(29)30)21(27)25-9-7-24(8-10-25)11-12-32-20-5-3-18(23)4-6-20/h3-6,13-15H,2,7-12H2,1H3