methyl 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H20ClN3O5/c1-13-3-4-16(21)12-18(13)22-5-7-23(8-6-22)19(25)14-9-15(20(26)29-2)11-17(10-14)24(27)28/h3-4,9-12H,5-8H2,1-2H3