methyl 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(4-chlorobenzyl)piperazino]-5-nitro-benzoic acid methyl ester Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O4/c1-27-19(24)17-12-16(23(25)26)6-7-18(17)22-10-8-21(9-11-22)13-14-2-4-15(20)5-3-14/h2-7,12H,8-11,13H2,1H3