propyl 4-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propanoylamino]benzoate

Systemtic Name: propyl 4-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propanoylamino]benzoate Openeye Name: propyl 4-[2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]propanoylamino]benzoate CAS Name: 4-[[2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-1-oxopropyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propanoylamino]benzoate Traditional Name: 4-[2-[4-(6-nitro-3-pyridyl)piperazino]propanoylamino]benzoic acid propyl ester Formula: C22H27N5O5 MolecularWeight: 441.48028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O5/c1-3-14-32-22(29)17-4-6-18(7-5-17)24-21(28)16(2)25-10-12-26(13-11-25)19-8-9-20(23-15-19)27(30)31/h4-9,15-16H,3,10-14H2,1-2H3,(H,24,28)