[4-(4-ethanoylpiperazin-1-yl)phenyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-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=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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