methyl 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(3-chlorobenzyl)piperazine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O5/c1-29-20(26)16-10-15(11-18(12-16)24(27)28)19(25)23-7-5-22(6-8-23)13-14-3-2-4-17(21)9-14/h2-4,9-12H,5-8,13H2,1H3