[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C19H18ClN3O5 MolecularWeight: 403.81632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

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