1-[(2-bromophenyl)methyl]-N-(2-methoxy-5-nitro-phenyl)piperidin-4-amine; ethanedioic acid

Systemtic Name: 1-[(2-bromophenyl)methyl]-N-(2-methoxy-5-nitro-phenyl)piperidin-4-amine; ethanedioic acid Openeye Name: 1-[(2-bromophenyl)methyl]-N-(2-methoxy-5-nitro-phenyl)piperidin-4-amine; oxalic acid CAS Name: 1-[(2-bromophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-4-piperidinamine; oxalic acid IUPAC Name: 1-[(2-bromophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)piperidin-4-amine; oxalic acid Traditional Name: [1-(2-bromobenzyl)-4-piperidyl]-(2-methoxy-5-nitro-phenyl)amine; oxalic acid Formula: C21H24BrN3O7 MolecularWeight: 510.33516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC2CCN(CC2)CC3=CC=CC=C3Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC2CCN(CC2)CC3=CC=CC=C3Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H22BrN3O3.C2H2O4/c1-26-19-7-6-16(23(24)25)12-18(19)21-15-8-10-22(11-9-15)13-14-4-2-3-5-17(14)20;3-1(4)2(5)6/h2-7,12,15,21H,8-11,13H2,1H3;(H,3,4)(H,5,6)