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

Systemtic Name: ethyl 3-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C21H20ClN3O6 MolecularWeight: 445.853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O6/c1-2-31-21(28)16-11-15(12-18(13-16)25(29)30)20(27)24-9-7-23(8-10-24)19(26)14-3-5-17(22)6-4-14/h3-6,11-13H,2,7-10H2,1H3