methyl 4-[[4-(3-nitrophenyl)carbonylpiperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(3-nitrophenyl)carbonylpiperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(3-nitrobenzoyl)piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-nitrobenzoyl)piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(3-nitrobenzoyl)piperazino]methyl]benzoic acid methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c1-28-20(25)16-7-5-15(6-8-16)14-21-9-11-22(12-10-21)19(24)17-3-2-4-18(13-17)23(26)27/h2-8,13H,9-12,14H2,1H3