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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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