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

Systemtic Name: ethanedioic acid; 3-[[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methyl]-1H-indole; oxalic acid CAS Name: 3-[[4-[(3-nitrophenyl)methyl]-1-piperazinyl]methyl]-1H-indole; oxalic acid IUPAC Name: 3-[[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methyl]-1H-indole; oxalic acid Traditional Name: 3-[[4-(3-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)18-5-3-4-16(12-18)14-22-8-10-23(11-9-22)15-17-13-21-20-7-2-1-6-19(17)20;3-1(4)2(5)6/h1-7,12-13,21H,8-11,14-15H2;(H,3,4)(H,5,6)