[4-[(4-bromophenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone; ethanedioic acid

Systemtic Name: [4-[(4-bromophenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone; ethanedioic acid Openeye Name: [4-[(4-bromophenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone; oxalic acid CAS Name: [4-[(4-bromophenyl)methyl]-1-piperazinyl]-(4-nitrophenyl)methanone; oxalic acid IUPAC Name: [4-[(4-bromophenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone; oxalic acid Traditional Name: [4-(4-bromobenzyl)piperazino]-(4-nitrophenyl)methanone; oxalic acid Formula: C20H20BrN3O7 MolecularWeight: 494.2927

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Br)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Br)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C18H18BrN3O3.C2H2O4/c19-16-5-1-14(2-6-16)13-20-9-11-21(12-10-20)18(23)15-3-7-17(8-4-15)22(24)25;3-1(4)2(5)6/h1-8H,9-13H2;(H,3,4)(H,5,6)