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

Systemtic Name: ethyl 3-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(2-chlorophenyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O5/c1-2-29-20(26)15-11-14(12-16(13-15)24(27)28)19(25)23-9-7-22(8-10-23)18-6-4-3-5-17(18)21/h3-6,11-13H,2,7-10H2,1H3