[4-(4-ethanoylpiperazin-1-yl)phenyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C19H18ClN3O5 MolecularWeight: 403.81632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN3O5/c1-13(24)21-8-10-22(11-9-21)15-3-5-16(6-4-15)28-19(25)14-2-7-17(20)18(12-14)23(26)27/h2-7,12H,8-11H2,1H3