[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[4-(2-chlorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-[4-(2-chlorophenyl)piperazino]-2-keto-ethyl] ester Formula: C19H18ClN3O5 MolecularWeight: 403.81632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN3O5/c20-15-6-2-4-8-17(15)21-9-11-22(12-10-21)18(24)13-28-19(25)14-5-1-3-7-16(14)23(26)27/h1-8H,9-13H2