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

Systemtic Name: ethyl 2-[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C21H25N4O5+ MolecularWeight: 413.447

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5/c1-2-30-21(27)16-7-3-4-8-17(16)22-20(26)15-23-11-13-24(14-12-23)18-9-5-6-10-19(18)25(28)29/h3-10H,2,11-15H2,1H3,(H,22,26)/p+1