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

Systemtic Name: propan-2-yl 4-[2-[4-(4-nitrophenyl)piperazin-1-yl]propanoylamino]benzoate Openeye Name: isopropyl 4-[2-[4-(4-nitrophenyl)piperazin-1-yl]propanoylamino]benzoate CAS Name: 4-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxopropyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[2-[4-(4-nitrophenyl)piperazin-1-yl]propanoylamino]benzoate Traditional Name: 4-[2-[4-(4-nitrophenyl)piperazino]propanoylamino]benzoic acid isopropyl ester Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O5/c1-16(2)32-23(29)18-4-6-19(7-5-18)24-22(28)17(3)25-12-14-26(15-13-25)20-8-10-21(11-9-20)27(30)31/h4-11,16-17H,12-15H2,1-3H3,(H,24,28)