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

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (4-bromo-2-chloro-phenyl) 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (4-bromo-2-chloro-phenyl) ester Formula: C19H18BrClN2O4 MolecularWeight: 453.71422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=C(C=C(C=C3)Br)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=C(C=C(C=C3)Br)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18BrClN2O4/c1-12-6-8-22(9-7-12)16-4-2-13(10-17(16)23(25)26)19(24)27-18-5-3-14(20)11-15(18)21/h2-5,10-12H,6-9H2,1H3