ethanedioic acid; 3-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]-1H-indole

Systemtic Name: ethanedioic acid; 3-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]-1H-indole; oxalic acid CAS Name: 3-[[4-[(2-nitrophenyl)methyl]-1-piperazinyl]methyl]-1H-indole; oxalic acid IUPAC Name: 3-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]-1H-indole; oxalic acid Traditional Name: 3-[[4-(2-nitrobenzyl)piperazino]methyl]-1H-indole; oxalic acid Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2[N+](=O)[O-])CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2[N+](=O)[O-])CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22N4O2.C2H2O4/c25-24(26)20-8-4-1-5-16(20)14-22-9-11-23(12-10-22)15-17-13-21-19-7-3-2-6-18(17)19;3-1(4)2(5)6/h1-8,13,21H,9-12,14-15H2;(H,3,4)(H,5,6)