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

Systemtic Name: methyl 4-[[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[4-(4-nitrophenyl)piperazino]acetyl]amino]methyl]benzoic acid methyl ester Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5/c1-30-21(27)17-4-2-16(3-5-17)14-22-20(26)15-23-10-12-24(13-11-23)18-6-8-19(9-7-18)25(28)29/h2-9H,10-15H2,1H3,(H,22,26)