ethyl 4-[2-[4-(4-nitrophenyl)piperazin-1-yl]propanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-(4-nitrophenyl)piperazin-1-yl]propanoylamino]benzoate Openeye Name: ethyl 4-[2-[4-(4-nitrophenyl)piperazin-1-yl]propanoylamino]benzoate CAS Name: 4-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(4-nitrophenyl)piperazin-1-yl]propanoylamino]benzoate Traditional Name: 4-[2-[4-(4-nitrophenyl)piperazino]propanoylamino]benzoic acid ethyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5/c1-3-31-22(28)17-4-6-18(7-5-17)23-21(27)16(2)24-12-14-25(15-13-24)19-8-10-20(11-9-19)26(29)30/h4-11,16H,3,12-15H2,1-2H3,(H,23,27)