[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C22H26N4O6 MolecularWeight: 442.46504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O6/c1-16(21(28)25-12-10-24(11-13-25)17-5-3-2-4-6-17)32-22(29)19-15-18(26(30)31)7-8-20(19)23-9-14-27/h2-8,15-16,23,27H,9-14H2,1H3