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

Systemtic Name: methyl 3-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H22ClN3O6 MolecularWeight: 447.86888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O6/c1-30-21(27)16-12-15(13-18(14-16)25(28)29)20(26)24-8-6-23(7-9-24)10-11-31-19-4-2-17(22)3-5-19/h2-5,12-14H,6-11H2,1H3