(4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C20H20BrClN2O4 MolecularWeight: 467.7408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=C(C=C(C=C3C)Br)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=C(C=C(C=C3C)Br)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20BrClN2O4/c1-12-5-7-23(8-6-12)17-4-3-14(10-18(17)24(26)27)20(25)28-19-13(2)9-15(21)11-16(19)22/h3-4,9-12H,5-8H2,1-2H3