1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(2-nitrobenzyl)piperazine; oxalic acid Formula: C21H24BrN3O7 MolecularWeight: 510.33516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-])Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-])Br.C(=O)(C(=O)O)O

InChI

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