ethanedioic acid; 9-ethyl-3-[[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methyl]carbazole

Systemtic Name: ethanedioic acid; 9-ethyl-3-[[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methyl]carbazole Openeye Name: 9-ethyl-3-[[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methyl]carbazole; oxalic acid CAS Name: 9-ethyl-3-[[4-[(3-nitrophenyl)methyl]-1-piperazinyl]methyl]carbazole; oxalic acid IUPAC Name: 9-ethyl-3-[[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methyl]carbazole; oxalic acid Traditional Name: 9-ethyl-3-[[4-(3-nitrobenzyl)piperazino]methyl]carbazole; oxalic acid Formula: C28H30N4O6 MolecularWeight: 518.561

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C51.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C51.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H28N4O2.C2H2O4/c1-2-29-25-9-4-3-8-23(25)24-17-21(10-11-26(24)29)19-28-14-12-27(13-15-28)18-20-6-5-7-22(16-20)30(31)32;3-1(4)2(5)6/h3-11,16-17H,2,12-15,18-19H2,1H3;(H,3,4)(H,5,6)