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

Systemtic Name: methyl 4-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-(2-nitrophenyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(2-nitrophenyl)piperazino]methyl]benzoic acid methyl ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4/c1-26-19(23)16-8-6-15(7-9-16)14-20-10-12-21(13-11-20)17-4-2-3-5-18(17)22(24)25/h2-9H,10-14H2,1H3